SCHEMBL1475613

SCHEMBL1475613

C=C(CC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
PTPN1 P18031 2/20 0.46
GSK3B P49841 2/20 0.46
PTGS1 P23219 2/20 0.42
SRD5A2 P31213 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
MMP1 P03956 1/20 0.40
NQO2 P16083 1/20 0.40
PTGS2 P35354 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MAOB P27338 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 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
SCHEMBL2263489 0.82 NR1I2 (0.42) PTGS1PTGS2MAOB
SCHEMBL3588964 0.81 CES2 (0.50) CES2CES1PTPN1GSK3BSRD5A2
SCHEMBL7785831 0.81 HDAC1 (0.45) SRD5A2
SCHEMBL28982625 0.79 CES2 (0.48) CES2CES1PTPN1GSK3BSRD5A2
SCHEMBL20072836 0.79 CES2 (0.48) CES2CES1PTPN1GSK3BSRD5A2
SCHEMBL21169892 0.78 ESR1 (0.33) PTGS1PTGS2
SCHEMBL20402669 0.78 GRIK2 (0.32) PTGS1PTGS2
SCHEMBL20683664 0.77 CES2 (0.55) CES2SRD5A2
SCHEMBL7544549 0.76 MEN1 (0.33)
SCHEMBL1474670 0.76 CES2 (0.54) CES2CES1PTPN1GSK3BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116875181-B High-hardness hydrophobic finish varnish and preparation method thereof 广东美涂士建材股份有限公司 2024-07-23 CN disclosed
CN-116875181-A High-hardness hydrophobic finish varnish and preparation method thereof 广东美涂士建材股份有限公司 2023-10-13 CN disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 CES2 930/4885CES1 636/4885PTPN1 1193/4885
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CES2 966/4885CES1 1145/4885PTPN1 909/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CES2 966/4885CES1 1145/4885PTPN1 909/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 CES2 943/4885CES1 657/4885PTPN1 1173/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CES2 1001/4885CES1 1212/4885PTPN1 905/4885

“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.