SCHEMBL5201041

SCHEMBL5201041

Cc1ccc2c(OC(=O)C(F)(F)F)csc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 5/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5178565 0.77 LMNA (0.43) LMNAMAPTPPARDPPARAPPARG
SCHEMBL15211479 0.69 HSD11B1 (0.43) ESR1MAPTPPARDPPARAPPARG
SCHEMBL9751544 0.69 ALOX15 (0.43) LMNAMAPTTP53ALDH1A1HSD17B10
SCHEMBL18791161 0.68 LMNA (0.38) BCL2L1MCL1LMNAMAPTTP53
SCHEMBL15211572 0.68 PPARD (0.39) ESR1LMNAMAPTPPARDPPARA
SCHEMBL6130768 0.67 TBXAS1 (0.50) BCL2L1MCL1LMNAMAPTALDH1A1
SCHEMBL15211511 0.67 CYP3A4 (0.41) ESR1MAPTALDH1A1HSD17B10GAA
SCHEMBL10952907 0.67 NR4A2 (0.51) BCL2L1MCL1MAPTALDH1A1HSD17B10
SCHEMBL9872338 0.66 LMNA (0.57) LMNAALDH1A1CYP2C9GAA
SCHEMBL5179107 0.66 MAPT (0.54) BCL2L1MCL1LMNAMAPTTP53

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
EP-1362854-B1 Benzo[b[thiophene derivatives and process for producing the same TEIJIN PHARMA LTD (JP) 2007-10-31 EP disclosed
EP-1792614-A1 Benzo[b]thiophene derivatives Teijin Pharma Limited (JP) 2007-06-06 EP disclosed
US-6884896-B2 Benzo[b]thiophene derivatives and process for preparing the same TEIJIN LIMITED (JP) 2005-04-26 US disclosed
EP-1362854-A1 BENZO b]THIOPHENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2003-11-19 EP disclosed
US-20030176490-A1 Benzo(b)thiophene derivatives and process for producing the same TEIJIN PHARMA LIMITED (JP) 2003-09-18 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 (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-20030176490-A1 Benzo(b)thiophene derivatives and process for producing the same CYP4B1, CYP1B1, CYP3A4 ESR1 1360/4885BCL2L1 2379/4885MCL1 2277/4885

“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.