SCHEMBL83871

SCHEMBL83871

Cc1nc2ccc(S(=O)(=O)O)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
PKM P14618 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
HTT P42858 4/20 0.56
PKLR P30613 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NOD2 Q9HC29 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
LDHA P00338 1/20 0.51
POLB P06746 1/20 0.50

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
Hydrochloric Acid SCHEMBL28774873 0.98 LMNA (0.56) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL84337 0.87 POLB (0.66) LMNAPKMALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL27712068 0.85 POLB (0.64) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL12799099 0.85 ALDH1A1 (0.59) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL14549419 0.84 LMNA (0.65) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL10303833 0.83 PKM (0.66) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL609522 0.83 LMNA (0.57) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL4055826 0.81 SMN1; SMN2 (0.57) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL14620302 0.81 ALDH1A1 (0.49) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL610238 0.81 LMNA (0.54) LMNAPKMALDH1A1SMN1; SMN2HTT

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 248 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 CN claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US claimed
US-6919333-B2 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-07-19 US claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
WO-2005029075-A1 BIS-TRANSITION-METAL-CHELATE PROBES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-03-31 WO claimed
EP-1506402-A2 BIS-TRANSITION-METAL-CHELATE-PROBES Rutgers, The State University of New Jersey (US) 2005-02-16 EP claimed
US-20040096887-A1 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-20 US claimed
US-20040019104-A1 Reagents and procedures for high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-01-29 US claimed
WO-2003107010-A1 REAGENTS AND PROCEDURES FOR HIGH-SPECIFICITY LABELING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2003-12-24 WO claimed
WO-2003091689-A2 BIS-TRANSITION-METAL-CHELATE-PROBES RUTGERS, THE STATE OF UNIVERSITY OF NEW JERSEY (US) 2003-11-06 WO claimed
WO-2021063999-A1 ISOINDOLINE DERIVATIVES BASF COLORS & EFFECTS GMBH (DE) 2021-04-08 WO disclosed
EP-0329491-A2 Photographic elements incorporating antihalation and/or acutance dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-23 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 LMNA 558/4885PKM 2117/4885ALDH1A1 2753/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 LMNA 2234/4885PKM 1602/4885ALDH1A1 1731/4885
US-20040096887-A1 Bis-transition-metal-chelate probes SCO2, CDY1; CDY1B, PYM1 LMNA 1283/4885PKM 2832/4885ALDH1A1 1285/4885
US-20040019104-A1 Reagents and procedures for high-specificity labeling AS3MT, SRMS, HNRNPH3 LMNA 1454/4885PKM 2309/4885ALDH1A1 3876/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 LMNA 558/4885PKM 2117/4885ALDH1A1 2753/4885

“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.