SCHEMBL4125439

SCHEMBL4125439

COc1ccc(C(=O)C(F)(F)F)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 11/20 0.51
AKR1C2 P52895 11/20 0.51
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KCNK2 O95069 2/20 0.47
KCNK10 P57789 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL383820 0.84 ALDH1A1 (0.66) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
Benzene SCHEMBL29227606 0.82 ALDH1A1 (0.63) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL32665938 0.81 HTT (0.54) KDM4EALDH1A1KCNK2KCNK10TSHR
SCHEMBL1950595 0.81 NPC1 (0.58) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A
SCHEMBL5307872 0.80 NPC1 (0.63) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL27944733 0.80 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL1983309 0.79 AKR1C3 (0.53) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL4128750 0.79 ALDH1A1 (0.65) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL23140494 0.78 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL30938277 0.78 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB

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
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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 (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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR SMN1; SMN2 2592/4885AKR1C3 92/4885AKR1C2 180/4885

“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.