SCHEMBL18152935

SCHEMBL18152935

CCC(=O)c1ccc(NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ATM Q13315 2/20 0.51
GAA P10253 3/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL9517500 0.86 ALDH1A1 (0.68) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL3619479 0.84 ALDH1A1 (0.70) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4112742 0.83 ALDH1A1 (0.62) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL27825360 0.82 ALDH1A1 (0.56) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15127704 0.82 RAB9A (0.58) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9696775 0.82 CACNA1B (0.67) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4121515 0.82 RAB9A (0.63) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL16753828 0.81 MAPT (0.59) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16509081 0.80 CYP1A1 (0.62) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL8238688 0.80 GSK3B (0.59) RAB9AALDH1A1KMT2AMEN1ATM

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-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI RAB9A 1969/4885ALDH1A1 3638/4885HPGD 1530/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI RAB9A 1969/4885ALDH1A1 3638/4885HPGD 1530/4885

“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.