SCHEMBL4414834

SCHEMBL4414834

C[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
NLRP3 Q96P20 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
IL18 Q14116 1/20 0.54
ALDH1A1 P00352 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50

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
SCHEMBL4414838 1.00 LMNA (0.55) LMNAMAPTTSHRHTTNLRP3
SCHEMBL12890539 0.85 MAPT (0.60) LMNAMAPTTSHRHTTNLRP3
SCHEMBL4414716 0.81 LMNA (0.51) LMNAMAPTTSHRHTTNLRP3
SCHEMBL4414707 0.81 LMNA (0.51) LMNAMAPTTSHRHTTNLRP3
SCHEMBL14433543 0.81 HSD17B10 (0.72) LMNAMAPTTSHRHTTNLRP3
SCHEMBL20335133 0.80 TSHR (0.56) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL5014651 0.80 MMP2 (0.54) LMNAMAPTTSHRHTTNLRP3
SCHEMBL20335132 0.80 TSHR (0.56) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL5014650 0.80 MMP2 (0.54) LMNAMAPTTSHRHTTNLRP3
SCHEMBL9056827 0.80 HSD17B10 (0.66) LMNAMAPTTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP 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 (1 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 LMNA 614/4885MAPT 3986/4885TSHR 336/4885

“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.