SCHEMBL4032450

SCHEMBL4032450

Cc1cccc(-c2onc(C)c2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 4/20 0.58
IP6K3 Q96PC2 4/20 0.58
IP6K2 Q9UHH9 4/20 0.58
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMO O15229 2/20 0.44
PIN1 Q13526 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL928538 0.85 PTGS1 (0.54) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL4339483 0.85 NR4A1 (0.44) IP6K1IP6K3IP6K2ALDH1A1L3MBTL1
SCHEMBL3711076 0.85 PRNP (0.45) IP6K1IP6K3IP6K2ALDH1A1HTT
SCHEMBL4035250 0.84 HTT (0.57) IP6K1IP6K3IP6K2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19119250 0.84 PTGS1 (0.53) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL4333981 0.83 ALDH1A1 (0.58) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL13508 0.83 PTGS1 (0.51) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL11375484 0.82 IP6K1 (0.58) IP6K1IP6K3IP6K2ALDH1A1HTT
SCHEMBL15280716 0.81 RAB9A (0.52) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL14789796 0.80 RAB9A (0.51) IP6K1IP6K3IP6K2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US disclosed
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258484-A1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-20 EP 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 (1 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-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs LPAR3, LPAR1, LPAR4 IP6K1 435/4885IP6K3 323/4885IP6K2 389/4885

“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.