SCHEMBL18152989

SCHEMBL18152989

CC(=O)c1ccc(NC(=O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
RORC P51449 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
AVPR2 P30518 1/20 0.45
OXTR P30559 1/20 0.45
AVPR1A P37288 1/20 0.45
PLAU P00749 1/20 0.45
CYP3A4 P08684 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
SCHEMBL18152959 0.91 JAK2 (0.52) NPC1RAB9AKMT2AMEN1EPHX1
SCHEMBL13602364 0.87 RORC (0.59) KMT2AMEN1EPHX1EPHX2RORC
SCHEMBL8280277 0.83 NPC1 (0.71) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL18152943 0.81 RAB9A (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13602178 0.81 RAB9A (0.56) NPC1RAB9AKMT2AMAPK13MAPK12
SCHEMBL13602467 0.80 L3MBTL1 (0.54) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL16285500 0.80 RAB9A (0.56) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1083471 0.79 SMN1; SMN2 (0.65) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL13602191 0.79 KMT2A (0.52) NPC1RAB9AKMT2AMEN1EPHX1
SCHEMBL18152962 0.79 JAK2 (0.42) NPC1RAB9AKMT2AMEN1EPHX2

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-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
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
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US 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 (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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI NPC1 1229/4885RAB9A 1969/4885KMT2A 1103/4885
US-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NPC1 1211/4885RAB9A 1961/4885KMT2A 1209/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI NPC1 1229/4885RAB9A 1969/4885KMT2A 1103/4885

“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.