Sugi Predict

Sugi Predict / Compounds / SCHEMBL4398685

SCHEMBL4398685

SCHEMBL4398685

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ PTPN1 P18031 2/20 0.64
▸ TRPV1 Q8NER1 1/20 0.60
▸ HPGD P15428 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ RECQL P46063 1/20 0.59
▸ FAAH O00519 2/20 0.57
▸ CDH1 P12830 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ TCF7L2 Q9NQB0 1/20 0.55
▸ ACR P10323 1/20 0.53
▸ EPHX2 P34913 1/20 0.51
▸ RARA P10276 1/20 0.49
▸ RARB P10826 1/20 0.49
▸ RARG P13631 1/20 0.49
▸ RXRA P19793 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL4093700 0.84 ALDH1A1 (0.66) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL4398693 0.83 PTPN1 (0.69) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL72428 0.81 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL8183194 0.81 ABCB1 (0.55) TRPV1FAAHEPHX2RXRANPC1
SCHEMBL5202132 0.81 ABCB1 (0.55) TRPV1FAAHEPHX2RXRANPC1
SCHEMBL11902926 0.80 ALDH1A1 (0.67) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL4406520 0.80 ALDH1A1 (0.73) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL72786 0.80 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL71299 0.79 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL766707 0.79 ACR (0.55) ALDH1A1TRPV1HPGDMAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 — — EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO claimed
EP-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 — — EP disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 — — US disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 — — EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 — — EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 — — US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 — — EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 — — US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 — — WO 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 (6 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 ALDH1A1 253/4885PTPN1 3220/4885TRPV1 1896/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ALDH1A1 434/4885PTPN1 985/4885TRPV1 159/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 ALDH1A1 434/4885PTPN1 985/4885TRPV1 159/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885PTPN1 2026/4885TRPV1 393/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885PTPN1 3166/4885TRPV1 992/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ALDH1A1 428/4885PTPN1 974/4885TRPV1 163/4885

“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.