Sugi Predict

Sugi Predict / Compounds / SCHEMBL1482001

SCHEMBL1482001

SCHEMBL1482001

CS(=O)(=O)Nc1cccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B3 P37058 1/20 0.37
▸ SLC2A2 P11168 5/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MCTS1 Q9ULC4 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ F7 P08709 1/20 0.35

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
SCHEMBL1482005 1.00 P2RX7 (0.39) P2RX7KDM4ENPC1CRHBPRAB9A
SCHEMBL1483160 0.93 KDM4E (0.42) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1483163 0.93 KDM4E (0.42) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1482034 0.93 DRD2 (0.43) P2RX7HSD17B3SLC2A2TP53PIK3CD
SCHEMBL1482037 0.93 DRD2 (0.43) P2RX7HSD17B3SLC2A2TP53PIK3CD
SCHEMBL1676240 0.93 SLC2A2 (0.37) P2RX7KDM4ENPC1CRHBPRAB9A
SCHEMBL1676235 0.93 SLC2A2 (0.37) P2RX7KDM4ENPC1CRHBPRAB9A
SCHEMBL1676015 0.92 KDM4E (0.38) P2RX7KDM4ENPC1CRHBPRAB9A
SCHEMBL1676017 0.92 KDM4E (0.38) P2RX7KDM4ENPC1CRHBPRAB9A
SCHEMBL1483845 0.91 PPARA (0.38) KDM4ENPC1CRHBPRAB9ACRHR2

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 — — US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ P2RX7 1132/4885KDM4E 672/4885NPC1 3792/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE P2RX7 701/4885KDM4E 733/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE P2RX7 701/4885KDM4E 733/4885NPC1 3228/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ P2RX7 1132/4885KDM4E 672/4885NPC1 3792/4885

“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.