SCHEMBL3553708

SCHEMBL3553708

O=C(CCCOc1ccccc1)Nc1cscc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 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
SCHEMBL3562902 0.87 NPC1 (0.52) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL3561702 0.87 LMNA (0.47) L3MBTL1TSHRMAPK1ALDH1A1HTT
SCHEMBL3562528 0.86 MMP3 (0.58) ALDH1A1TDP1SMN1; SMN2LMNANPC1
SCHEMBL3556584 0.84 NPC1 (0.59) ALDH1A1GAAHTTSMN1; SMN2LMNA
SCHEMBL3558388 0.84 NPC1 (0.48) MAPK1ALDH1A1LMNANPC1RAB9A
SCHEMBL3561221 0.80 KDM6B (0.60) ALDH1A1GAANPC1RAB9A
SCHEMBL3561257 0.78 HCAR2 (0.56) TSHRALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3553738 0.78 PTPN1 (0.43) L3MBTL1TSHRMAPK1ALDH1A1TDP1
SCHEMBL3552611 0.76 MMP3 (0.54) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL3556566 0.75 SERPINE1 (0.53) L3MBTL1TSHRALDH1A1SMN1; SMN2LMNA

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-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US claimed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 US claimed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 US 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 (2 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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 L3MBTL1 3560/4885TSHR 46/4885MAPK1 2426/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 L3MBTL1 3560/4885TSHR 46/4885MAPK1 2426/4885

“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.