Sugi Predict

Sugi Predict / Compounds / SCHEMBL1676153

SCHEMBL1676153

SCHEMBL1676153

CS(=O)(=O)c1ccc(COc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.45
▸ NR4A2 P43354 2/20 0.44
▸ BCL2L1 Q07817 2/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ ALKBH1 Q13686 4/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ PTGER1 P34995 2/20 0.40
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 2/20 0.40

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
SCHEMBL1676828 0.92 NPC1 (0.44) PTGS2BCL2L1MCL1NPC1RAB9A
SCHEMBL1676521 0.89 KDM4E (0.43) PTGS2NR4A2BCL2L1MCL1ALKBH1
SCHEMBL1676001 0.87 KDM4E (0.41) PTGS2NR4A2BCL2L1MCL1ALKBH1
SCHEMBL1676608 0.86 NPC1 (0.41) BCL2L1MCL1NPC1RAB9AKDM4E
SCHEMBL1481698 0.86 NPC1 (0.47) NR4A2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676020 0.84 NPC1 (0.56) ALKBH1NPC1RAB9AKDM4ECRHBP
SCHEMBL1482090 0.84 NPC1 (0.44) PTGS2NPC1RAB9AKDM4ECRHBP
SCHEMBL1480681 0.84 NPC1 (0.44) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676149 0.83 PTGS2 (0.46) PTGS2NR4A2BCL2L1MCL1NPC1
SCHEMBL1676222 0.83 BCL2L1 (0.42) NR4A2BCL2L1MCL1ALKBH1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 — — EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 — — WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 — — 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE PTGS2 1321/4885NR4A2 3227/4885BCL2L1 2215/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PTGS2 1321/4885NR4A2 3227/4885BCL2L1 2215/4885

“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.