SCHEMBL10150894

SCHEMBL10150894

CCC(=O)[C@H](NC(=O)N(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10141002 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2POLBLMNAMEN1
SCHEMBL634437 0.83 FPR2 (0.47) ALDH1A1LMNAKMT2AMTORMAPT
SCHEMBL304497 0.83 FPR2 (0.47) ALDH1A1LMNAKMT2AMTORMAPT
SCHEMBL5743537 0.81 LMNA (0.51) ALDH1A1CYP1A2POLBLMNAMEN1
SCHEMBL16509205 0.81 TACR3 (0.44) ALDH1A1POLBLMNAKMT2AMTOR
SCHEMBL890232 0.81 TACR3 (0.44) ALDH1A1POLBLMNAKMT2AMTOR
SCHEMBL21142858 0.81 LMNA (0.51) ALDH1A1CYP1A2POLBLMNAMEN1
SCHEMBL13545121 0.81 MTNR1A (0.46) ALDH1A1CYP1A2POLBLMNAMEN1
SCHEMBL13146243 0.81 ALDH1A1 (0.40) ALDH1A1MTORMAPTMAPK1
SCHEMBL13179385 0.80 MEN1 (0.44) ALDH1A1CYP1A2POLBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 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 (5 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885CYP1A2 205/4885POLB 682/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885CYP1A2 175/4885POLB 381/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885CYP1A2 205/4885POLB 682/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885CYP1A2 240/4885POLB 538/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP1A2 2139/4885POLB 1431/4885

“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.