SCHEMBL15533574

SCHEMBL15533574

CC1CCc2c(sc(N)c2C(=O)O)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.78
ALDH1A1 P00352 10/20 0.78
HPGD P15428 5/20 0.78
KDM4E B2RXH2 4/20 0.78
ALOX15 P16050 3/20 0.78
HSD17B10 Q99714 2/20 0.78
GAA P10253 2/20 0.67
TSHR P16473 1/20 0.67
ALOX12 P18054 1/20 0.67
LMNA P02545 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HTT P42858 1/20 0.60
ADORA1 P30542 2/20 0.52
RAD52 P43351 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ANO1 Q5XXA6 1/20 0.52
TNF P01375 3/20 0.52
NOD1 Q9Y239 3/20 0.52
DUSP3 P51452 1/20 0.51

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
SCHEMBL15256369 0.88 MAPT (0.78) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL1718839 0.88 MAPT (1.00) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL17189283 0.81 ALDH1A1 (0.72) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL15921037 0.81 MAPT (0.52) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL2949670 0.80 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL21247239 0.80 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL3914470 0.80 MAPT (1.00) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL21260633 0.79 TNF (0.62) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL14195744 0.77 MAPT (0.65) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL3498811 0.76 ALDH1A1 (0.59) MAPTALDH1A1HPGDKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852595-B1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-9296757-B2 Substituted benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-29 US disclosed
EP-2951187-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-12-09 EP disclosed
US-20150152121-A1 Substituted Benzothienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
EP-2852595-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2014118229-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
WO-2013174735-A1 SUBSTITUTED BENZOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 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 (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-20150152121-A1 Substituted Benzothienopyrimidines CCNA1, CCNT2, TYMP MAPT 2395/4885ALDH1A1 545/4885HPGD 517/4885
US-20160159816-A1 SUBSTITUTED THIENOPYRIMIDINES AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS MAPT 2076/4885ALDH1A1 507/4885HPGD 60/4885

“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.