SCHEMBL791747

SCHEMBL791747

C[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
SLC7A5 Q01650 1/20 0.65
ALDH1A1 P00352 4/20 0.58
HRH4 Q9H3N8 3/20 0.58
HRH3 Q9Y5N1 3/20 0.58
NFKB1 P19838 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.58
THPO P40225 1/20 0.58
LMNA P02545 1/20 0.56
APEX1 P27695 1/20 0.56
BLM P54132 1/20 0.56
CPB2 Q96IY4 1/20 0.55
GABRA1 P14867 1/20 0.55
TSHR P16473 1/20 0.55
GABRR1 P24046 1/20 0.55
GABRR2 P28476 1/20 0.55
GABRA5 P31644 1/20 0.55

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
SCHEMBL14411160 1.00 CYP3A4 (0.65) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL14279284 0.86 ALDH1A1 (0.58) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL26576389 0.84 HRH4 (0.56) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL22722177 0.84 HRH4 (0.61) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL12016013 0.84 HRH4 (0.61) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL22646239 0.81 HRH3 (0.53) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL16676578 0.80 HRH3 (0.51) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL29385058 0.80 CYP3A4 (0.67) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL1131474 0.80 CYP3A4 (0.67) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL1624184 0.80 CYP3A4 (0.67) CYP3A4SLC7A5ALDH1A1HRH4HRH3

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
EP-3964514-A1 GINKGOLIDE B DERIVATIVE AND SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Huiling Jinxin (Shanghai) Pharmaceutical Technology Co., Ltd (CN) 2022-03-09 EP disclosed
US-20140243282-A1 METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS KALLAM SATISH REDDY (US) 2014-08-28 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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 (3 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885SLC7A5 3348/4885ALDH1A1 750/4885
US-20140243282-A1 METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS EPHA2, C3AR1, FCGRT CYP3A4 2057/4885SLC7A5 2497/4885ALDH1A1 593/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CYP3A4 712/4885SLC7A5 2582/4885ALDH1A1 1863/4885

“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.