Sugi Predict

Sugi Predict / Compounds / SCHEMBL10175141

SCHEMBL10175141

SCHEMBL10175141

CC(C)C(=O)NC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ AADAC P22760 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL13401126 0.77 MAPT (0.37) MLYCDMAPTALDH1A1SMN1; SMN2CES2
SCHEMBL154812 0.74 POLB (0.46) MLYCDMAPTALDH1A1GAAMDM4
SCHEMBL22304297 0.72 PIK3CD (0.37) MLYCDMAPTALDH1A1TSHRGAA
SCHEMBL25098774 0.72 MLYCD (0.33) MLYCDMAPT
SCHEMBL25098445 0.72 MLYCD (0.33) MLYCDMAPT
SCHEMBL8860013 0.72 — —
SCHEMBL25854763 0.72 MLYCD (0.35) MLYCDMAPTALDH1A1SMN1; SMN2CES2
SCHEMBL24926580 0.70 PIK3CD (0.32) MLYCDMAPTPOLB
SCHEMBL24926579 0.70 PIK3CD (0.32) MLYCDMAPTPOLB
SCHEMBL1233264 0.70 POLB (0.33) GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 — — US disclosed
US-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-01-08 — — US disclosed
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 — — US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 — — US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 — — US disclosed
US-7939244-B2 Photosensitive hardmask for microlithography BREWER SCIENCE INC. (US) 2011-05-10 — — US disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 — — US disclosed
US-20090297784-A1 Photosensitive hardmask for microlithography BREWER SCIENCE INC. 2009-12-03 — — US disclosed
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 — — US disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 — — US disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 — — US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 — — US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 — — US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 — — US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 — — US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 — — 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 (12 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 MLYCD 3875/4885MAPT 3699/4885ALDH1A1 1572/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 MLYCD 401/4885MAPT 2472/4885ALDH1A1 260/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 MLYCD 4659/4885MAPT 4361/4885ALDH1A1 622/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 MLYCD 4737/4885MAPT 4491/4885ALDH1A1 1204/4885
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 MLYCD 3031/4885MAPT 3002/4885ALDH1A1 923/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 MLYCD 4773/4885MAPT 4568/4885ALDH1A1 849/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 MLYCD 1469/4885MAPT 3948/4885ALDH1A1 394/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR MLYCD 1985/4885MAPT 2569/4885ALDH1A1 1976/4885
US-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof TST, TXN, TXNRD2 MLYCD 2292/4885MAPT 3339/4885ALDH1A1 218/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR MLYCD 1985/4885MAPT 2569/4885ALDH1A1 1976/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 MLYCD 2292/4885MAPT 3339/4885ALDH1A1 218/4885
US-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 MLYCD 365/4885MAPT 3483/4885ALDH1A1 150/4885

“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.