SCHEMBL15423917

SCHEMBL15423917

C[C@@H](Cc1c[nH]nn1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ATM Q13315 2/20 0.43
MME P08473 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSB P07858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL15425042 0.80 TACR1 (0.48) ALDH1A1ATMMAPTCTSBKMT2A
SCHEMBL265561 0.79 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CTSBL3MBTL1
SCHEMBL265176 0.79 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CTSBL3MBTL1
SCHEMBL12764099 0.79 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CTSBL3MBTL1
SCHEMBL4691605 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL825025 0.77 MIF (0.39) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL13259431 0.77 TACR1 (0.52) MAPTCTSBMAPK1TDP1
SCHEMBL18179442 0.74 CYP19A1 (0.52) ALDH1A1MMELMNA
SCHEMBL846586 0.74 CYP19A1 (0.52) ALDH1A1MMELMNA
SCHEMBL22930081 0.74 ALDH1A1 (0.59) ALDH1A1ATMMAPTHPGDCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 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-20140018389-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 2265/4885ATM 3941/4885MME 2640/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885ATM 3538/4885MME 1382/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885ATM 3538/4885MME 1382/4885

“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.