SCHEMBL3971671

SCHEMBL3971671

CCC(C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.74
ALDH1A1 P00352 6/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
CNR1 P21554 1/20 0.54
HTT P42858 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA2 P00918 1/20 0.53
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
MMP2 P08253 3/20 0.49
MMP3 P08254 2/20 0.49
MMP13 P45452 2/20 0.49
ADAMTS4 O75173 2/20 0.49
MMP1 P03956 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
SCHEMBL20021999 0.90 MMP2 (0.63) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13588576 0.85 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31310982 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6323678 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4107256 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31310984 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6323675 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12169286 0.83 CA2 (0.75) SMN1; SMN2ALDH1A1CA12CA9CA2
SCHEMBL11650680 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16197361 0.82 TDP1 (0.55) SMN1; SMN2ALDH1A1LMNAMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699028-A It is substituted 4- phenylpyridine compounds as non-systemic TGR5 agonists 阿德利克斯公司 2018-10-23 CN claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US claimed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US claimed
CN-101506175-A 2-anilino-4-(heterocyclic)amino-pyrimidines as inhibitors of protein kinase C-alpha BOEHRINGER INGELHEIM INT (DE) 2009-08-12 CN claimed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 US disclosed
CN-108699028-A It is substituted 4- phenylpyridine compounds as non-systemic TGR5 agonists 阿德利克斯公司 2018-10-23 CN disclosed
US-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-20160231606-A1 OPTICAL FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2016-08-11 US disclosed
US-9354356-B2 Polymer film, and optically-compensatory film, polarizer and liquid-crystal display device comprising the same FUJIFILM CORPORATION (JP) 2016-05-31 US disclosed
US-9348177-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2016-05-24 US disclosed
US-20070285603-A1 Transparent Film And Optical Compensatory Film, Polarizing Plate And Liquid-Crystal Display Device Employing It FUJI PHOTO FILM CO., LTD. (JP) 2007-12-13 US disclosed
US-20070273815-A1 Cellulose acylate film, production method of cellulose acylate film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2007-11-29 US disclosed
US-20070259134-A1 Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2007-11-08 US disclosed
US-20070195226-A1 Polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2007-08-23 US disclosed
US-20070182895-A1 Liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-08-09 US disclosed
US-20070076155-A1 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-04-05 US disclosed
US-20070059458-A1 Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 US disclosed
US-6953788-B1 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase AVENTIS PHARMACEUTICALS INC. (US) 2005-10-11 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 (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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH SMN1; SMN2 3836/4885ALDH1A1 4216/4885CYP1A2 3383/4885
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 SMN1; SMN2 991/4885ALDH1A1 2269/4885CYP1A2 4623/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH SMN1; SMN2 3836/4885ALDH1A1 4216/4885CYP1A2 3383/4885

“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.