SCHEMBL13487580

SCHEMBL13487580

CC(C)(C)c1cc(NCC(=O)c2ccccc2)c(C(=O)O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
AKR1C3 P42330 1/20 0.46
MAPK14 Q16539 11/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAF1 P04049 1/20 0.37

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
SCHEMBL5320792 0.67 RAB9A (0.65) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL10788888 0.65 KMT2A (0.56) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL28095642 0.64 AGTR1 (0.65) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL593746 0.64 AKR1C3 (0.73) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL6560025 0.64 KMT2A (0.66) AGTR1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6899907 0.64 MEN1 (0.65) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL18306399 0.64 AKR1C3 (0.83) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
Hydrochloric Acid SCHEMBL28169360 0.64 KMT2A (0.54) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL19707579 0.63 MRGPRX4 (0.58) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2
SCHEMBL570885 0.63 AGTR1 (0.54) AGTR1RAB9AKDM4EAKR1C3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 AGTR1 2911/4885RAB9A 2804/4885KDM4E 2770/4885

“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.