SCHEMBL4970970

SCHEMBL4970970

Cc1ccc(S(=O)(=O)OCC2CCc3ccccc3O2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.68
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.40
HTR1D P28221 1/20 0.39

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
SCHEMBL6348557 1.00 CA2 (0.68) CA2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL7346088 1.00 CA2 (0.68) CA2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL8424531 0.89 CA2 (0.54) CA2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL5968789 0.88 CA2 (0.52) CA2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL13230301 0.87 CA2 (0.51) CA2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL1136635 0.85 CA2 (0.50) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4295393 0.85 CA2 (0.50) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL1136638 0.85 CA2 (0.50) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL1018563 0.84 CA2 (0.48) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4823723 0.84 CA2 (0.75) CA2HTR1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate KANEKA CORPORATION (JP) 2005-01-20 US disclosed
EP-1445324-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMAN DERIVATIVE AND INTERMEDIATE KANEKA CORPORATION (JP) 2004-08-11 EP disclosed
EP-1432694-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES Wyeth (US) 2004-06-30 EP disclosed
US-6716998-B2 SUCH AS (2R)-3,4-DIHYDRO-2H-CHROMEN-2-YL-METHYL-4-METHYL-BENZENESULFONATE; METATHESIS RING CLOSING POLYMERIZATION WYETH 2004-04-06 US disclosed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US disclosed
US-20030100774-A1 Process for synthesis of 2-yl chroman derivatives WYETH (US) 2003-05-29 US disclosed
WO-2003031428-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES WYETH (US) 2003-04-17 WO disclosed
EP-0199400-B1 Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-26 EP disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
US-4826848-A Antidepressive substituted N-[(4-piperidinyl)alkyl] bicyclic condensed oxazol- and thiazolamines JANSSEN PHARMACEUTICA N.V. (BE) 1989-05-02 US disclosed
US-4749702-A PARKINSON*S DISEASE, ENTEROKINESIA JANSSEN PHARMACEUTICA N. V. (BE) 1988-06-07 US disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
US-4689330-A PARKINSON DISEASE JANSSEN PHARMACEUTICA N.V. (BE) 1987-08-25 US disclosed
EP-0199400-A2 Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-29 EP disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 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 (3 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-20030100774-A1 Process for synthesis of 2-yl chroman derivatives CDYL, CDY1; CDY1B, CDYL2 CA2 1314/4885LMNA 1602/4885ALDH1A1 1990/4885
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate CYP8B1, CYP3A43, HPD CA2 825/4885LMNA 464/4885ALDH1A1 350/4885
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A CA2 4518/4885LMNA 3052/4885ALDH1A1 313/4885

“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.