SCHEMBL20346113

SCHEMBL20346113

Cc1cc(C(=O)O)cc(C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TPMT P51580 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
AURKA O14965 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL6674059 0.88 ALOX15 (0.48) MAPTTPMTALOX15TSHRHIF1A
SCHEMBL17858833 0.83 HSP90AA1 (0.47) MAPTTPMTALOX15TSHRHIF1A
SCHEMBL29177315 0.83 CDK8 (0.49) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29739565 0.83 CDK8 (0.49) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1179149 0.81 TPMT (0.56) MAPTTPMTALOX15TSHRHIF1A
SCHEMBL17943341 0.80 KDM4E (0.49) MAPTTSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5527447 0.79 TPMT (0.42) TPMTALOX15TSHRHIF1AKDM4E
SCHEMBL25951737 0.79 ALOX15 (0.41) MAPTTPMTALOX15TSHRHIF1A
SCHEMBL18362973 0.79 GABRP (0.43) TPMTALOX15TSHRHIF1AKDM4E
Hydrochloric Acid SCHEMBL1179035 0.79 TPMT (0.54) MAPTTPMTALOX15TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 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 (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-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID IMPDH2, IMPDH1, GFPT1 MAPT 963/4885TPMT 49/4885ALOX15 2953/4885

“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.