SCHEMBL4398693

SCHEMBL4398693

O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)on1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.69
ALDH1A1 P00352 9/20 0.64
HPGD P15428 3/20 0.58
KMO O15229 2/20 0.57
IP6K1 Q92551 1/20 0.53
IP6K3 Q96PC2 1/20 0.53
IP6K2 Q9UHH9 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PTPRA P18433 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL5046518 0.87 PTPN1 (0.51) PTPN1ALDH1A1HPGDKMOIP6K1
SCHEMBL4398685 0.83 ALDH1A1 (0.66) PTPN1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5620215 0.82 PTPN1 (1.00) PTPN1ALDH1A1HPGDMAPTTP53
SCHEMBL29775668 0.80 MAPT (0.57) ALDH1A1HPGDMAPTLMNATP53
SCHEMBL2108368 0.80 MAPT (0.57) ALDH1A1HPGDMAPTLMNATP53
SCHEMBL70042 0.80 PTPN1 (0.76) PTPN1ALDH1A1HPGDKMOMAPT
SCHEMBL11457813 0.79 MAOB (0.50) PTPN1ALDH1A1KMOIP6K1IP6K3
SCHEMBL11594946 0.79 BRD4 (0.46) PTPN1ALDH1A1HPGDKMOIP6K1
SCHEMBL11902016 0.79 ALDH1A1 (0.69) PTPN1ALDH1A1HPGDMAPTTP53
SCHEMBL29553258 0.79 BRD4 (0.45) PTPN1ALDH1A1HPGDIP6K1IP6K3

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
US-20230357152-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS VIII BASF SE (DE) 2023-11-09 US disclosed
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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
CN-101925590-A Aldh-2 inhibitors in treatment of addiction CV THERAPEUTICS INC 2010-12-22 CN disclosed
CN-101917987-A ALDH-2 inhibitors for the treatment of psychotic disorders CV THERAPEUTICS INC 2010-12-15 CN disclosed
CN-101627024-A ALDH-2 inhibitors in the treatment of addiction CV THERAPEUTICS INC 2010-01-13 CN 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
CN-1980920-A Thiophene derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-06-13 CN 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 PTPN1 985/4885ALDH1A1 434/4885HPGD 1895/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 PTPN1 985/4885ALDH1A1 434/4885HPGD 1895/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 PTPN1 2026/4885ALDH1A1 706/4885HPGD 732/4885
US-20230357152-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS VIII COX5B, COX6B1, SQOR PTPN1 1348/4885ALDH1A1 4157/4885HPGD 2792/4885

“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.