SCHEMBL7215778

SCHEMBL7215778

NC1CCC(CC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 2/20 0.42
RCOR1 Q9UKL0 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDC25B P30305 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27522093 1.00 GLA (0.49) GLAALDH1A1L3MBTL1MAPK1FABP7
Hydrochloric Acid SCHEMBL7215777 0.99 GLA (0.48) GLAALDH1A1L3MBTL1MAPK1FABP7
Hydrochloric Acid SCHEMBL7215772 0.99 GLA (0.48) GLAALDH1A1L3MBTL1MAPK1FABP7
SCHEMBL4143101 0.76 ALDH1A1 (0.59) GLAALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL15778989 0.75 ALDH1A1 (0.51) GLAALDH1A1L3MBTL1MAPK1KDM1A
SCHEMBL15778991 0.75 ALDH1A1 (0.51) GLAALDH1A1L3MBTL1MAPK1KDM1A
SCHEMBL23665809 0.75 GLA (0.49) GLAALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL13599760 0.75 GLA (0.49) GLAALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8811625 0.74 GLA (0.61) GLAALDH1A1L3MBTL1MAPK1CDC25B
Hydrochloric Acid SCHEMBL15796142 0.74 ALDH1A1 (0.50) GLAALDH1A1L3MBTL1MAPK1KDM1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO 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 (1 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 GLA 110/4885ALDH1A1 1892/4885L3MBTL1 4527/4885

“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.