SCHEMBL10159776

SCHEMBL10159776

CC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.40
▸ FFAR4 Q5NUL3 3/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ DDR1 Q08345 3/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ CETP P11597 1/20 0.32

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
SCHEMBL8198914 0.82 GRIN2B (0.44) GRIN2BFFAR4NOTUMPTGER4PTGDR
SCHEMBL31462949 0.81 FFAR4 (0.37) FFAR4PDE2AACACBCETP
SCHEMBL16959255 0.81 GRIN2B (0.40) GRIN2BFFAR4PTGER4ACACBCETP
SCHEMBL24180116 0.81 FFAR4 (0.37) FFAR4PDE2AACACBCETP
SCHEMBL12936618 0.81 FFAR4 (0.41) GRIN2BFFAR4NOTUMPTGER4PTGDR
SCHEMBL16959251 0.80 ACACB (0.32) PDE2AACACBCETP
SCHEMBL16961707 0.80 FFAR4 (0.40) GRIN2BFFAR4ACACBCETP
SCHEMBL21102076 0.79 MAOB (0.41) GRIN2BFFAR4ALDH1A1
SCHEMBL8186680 0.78 GRIN2B (0.41) GRIN2BFFAR4NOTUMDDR1TRPV1
SCHEMBL16214988 0.78 GRIN2B (0.44) GRIN2BFFAR4NOTUMDDR1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
US-20210253548-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-08-19 — — US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 — — US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 — — US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 — — US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 — — US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 — — US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 — — US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 — — US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 GRIN2B 1607/4885FFAR4 4256/4885NOTUM 989/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 GRIN2B 2013/4885FFAR4 4844/4885NOTUM 322/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRIN2B 2243/4885FFAR4 4661/4885NOTUM 1094/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 GRIN2B 3550/4885FFAR4 1078/4885NOTUM 1957/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 GRIN2B 1888/4885FFAR4 2677/4885NOTUM 2995/4885
US-20210253548-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF RDX, RRM1, BRIX1 GRIN2B 827/4885FFAR4 2228/4885NOTUM 2781/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 GRIN2B 3238/4885FFAR4 3918/4885NOTUM 1343/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR GRIN2B 1166/4885FFAR4 1806/4885NOTUM 2997/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 GRIN2B 3216/4885FFAR4 4662/4885NOTUM 932/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRIN2B 2243/4885FFAR4 4661/4885NOTUM 1094/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 GRIN2B 3011/4885FFAR4 4011/4885NOTUM 1313/4885

“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.

Send feedback