SCHEMBL3553804

SCHEMBL3553804

COC(=O)c1cscc1NC(=O)CCCOc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.47
ADRB2 P07550 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPM4 Q8TD43 1/20 0.43

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
SCHEMBL3556584 0.89 NPC1 (0.59) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL3555354 0.77 KDM4E (0.60) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL5297607 0.75 HCAR2 (0.62) SMN1; SMN2MAPK8MAPK9MAPK10NPC1
SCHEMBL3551017 0.75 MAPK10 (0.53) SMN1; SMN2MAPK8MAPK9MAPK10NPC1
SCHEMBL3558388 0.75 NPC1 (0.48) NPC1RAB9AMAPTADRB2MEN1
SCHEMBL3552611 0.74 MMP3 (0.54) SMN1; SMN2MAPK8MAPK9MAPK10NPC1
SCHEMBL3560676 0.74 MAPK10 (0.46) SMN1; SMN2MAPK8MAPK9MAPK10NPC1
SCHEMBL11817902 0.74 MAPK8 (0.57) SMN1; SMN2MAPK8MAPK9MAPK10RAB9A
SCHEMBL3553708 0.72 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL3563299 0.72 MAPK10 (0.55) SMN1; SMN2MAPK8MAPK9MAPK10NPC1

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 5 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 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 SMN1; SMN2 3043/4885MAPK8 2450/4885MAPK9 3143/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SMN1; SMN2 3043/4885MAPK8 2450/4885MAPK9 3143/4885

“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.