SCHEMBL3885202

SCHEMBL3885202

CNC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.62
NR1H4 Q96RI1 1/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MITF O75030 1/20 0.52
POLB P06746 2/20 0.50
FFAR1 O14842 1/20 0.50
NAMPT P43490 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL4745756 0.87 EPHX2 (0.71) EPHX2NR1H4ALDH1A1KMT2AMEN1
SCHEMBL10155599 0.87 ALDH1A1 (0.78) EPHX2ALDH1A1KMT2ANPC1MAPT
SCHEMBL10155589 0.83 ALDH1A1 (0.62) EPHX2NR1H4ALDH1A1KMT2AMEN1
SCHEMBL24166921 0.83 NPC1 (0.69) EPHX2ALDH1A1KMT2AMEN1CA12
SCHEMBL23072523 0.82 ALDH1A1 (0.68) EPHX2ALDH1A1KMT2AMEN1NPC1
SCHEMBL8686673 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL1019968 0.81 EPHX2 (0.74) EPHX2NR1H4ALDH1A1KMT2AMEN1
Urea SCHEMBL4746502 0.81 EPHX2 (0.65) EPHX2NR1H4ALDH1A1KMT2AMEN1
SCHEMBL28513066 0.81 EPHX2 (0.59) EPHX2NR1H4ALDH1A1KMT2AMEN1
SCHEMBL714237 0.80 SMN1; SMN2 (0.73) EPHX2ALDH1A1KMT2AMEN1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475285-B1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2022-02-09 EP disclosed
US-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2022-02-08 US disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2020-06-11 US disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3333156-A2 BENZOMORPHAN ANALOGS AND THE USE THEREOF Purdue Pharma L.P. (US) 2018-06-13 EP disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
US-5446062-A Antiallergens, antiinflammatory agent ABBOTT LABORATORIES (US) 1995-08-29 US disclosed
US-5407959-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-04-18 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 (5 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-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof MTOR, RPTOR, RICTOR EPHX2 4655/4885NR1H4 2396/4885ALDH1A1 4634/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI EPHX2 233/4885NR1H4 2124/4885ALDH1A1 3635/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 EPHX2 270/4885NR1H4 2393/4885ALDH1A1 3478/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR EPHX2 4655/4885NR1H4 2396/4885ALDH1A1 4634/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 EPHX2 2290/4885NR1H4 1841/4885ALDH1A1 1448/4885

“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.