SCHEMBL6986846

SCHEMBL6986846

Cc1ccccc1S(=O)(=O)OC(CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 5/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ ATM Q13315 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ TBXAS1 P24557 2/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CHRM1 P11229 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6980269 0.91 POLB (0.40) GSRPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL6980162 0.88 KMT2A (0.39) GSRPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL6975734 0.80 KMT2A (0.37) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17164172 0.79 GSR (0.46) GSRCYP2D6LMNAALDH1A1
SCHEMBL6982213 0.79 GSR (0.46) GSRCYP2D6LMNAALDH1A1
SCHEMBL3472238 0.74 CYP1A2 (0.38) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL708291 0.74 ALDH1A1 (0.51) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4936612 0.73 MEN1 (0.44) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14778954 0.73 MEN1 (0.44) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8960414 0.73 CYP1A2 (0.46) POLBCYP1A2CYP2C9CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 — — EP disclosed
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 — — EP disclosed
US-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 — — US disclosed
US-6310061-B2 OPIOID RECEPTOR SUBTYPE KAPPA; USE AS ANALGESIC, ANESTHETIC, ANTIINFLAMMATORY OR NEUROPROTECTIVE AGENT, FOR TREATMENT OF ARTHRITIS, STROKE OR FUNCTIONAL BOWEL DISEASE; REDUCED DRUG DEPENDENCY SIDE EFFECTS PFIZER INC. 2001-10-30 — — US disclosed
US-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 — — US disclosed
US-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 — — US disclosed
US-6294557-B1 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 — — US disclosed
US-6294569-B2 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 — — US disclosed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 — — US disclosed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 — — US disclosed
US-20010011091-A1 Analgesics ITO FUMITAKA (JP) 2001-08-02 — — US disclosed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 — — US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 — — US disclosed
US-6201007-B1 OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS PFIZER INC. 2001-03-13 — — US disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 — — EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 — — US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 — — EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 — — WO disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 — — WO disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 GSR 4202/4885POLB 2910/4885CYP1A2 282/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 GSR 4798/4885POLB 2807/4885CYP1A2 77/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 GSR 4795/4885POLB 1022/4885CYP1A2 363/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 GSR 4270/4885POLB 1996/4885CYP1A2 75/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 GSR 3824/4885POLB 2321/4885CYP1A2 433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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