SCHEMBL17538596

SCHEMBL17538596

O=C(O)c1cccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 5/20 0.67
ALDH1A1 P00352 3/20 0.64
TP53 P04637 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CCR8 P51685 1/20 0.62
CNR1 P21554 1/20 0.58
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL16088780 0.90 TP53 (0.66) ALBALDH1A1TP53NPC1RAB9A
SCHEMBL17531739 0.90 CCR8 (0.66) ALBALDH1A1TP53NPC1RAB9A
SCHEMBL16088783 0.88 HTT (0.64) ALBALDH1A1TP53NPC1RAB9A
SCHEMBL16127708 0.85 CNR1 (0.69) ALBALDH1A1TP53MEN1KMT2A
SCHEMBL16088726 0.85 MEN1 (0.59) ALBALDH1A1TP53MEN1KMT2A
SCHEMBL23864543 0.84 MEN1 (0.58) ALBALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL16088767 0.84 CCR8 (0.65) ALBALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL16127703 0.83 ALDH1A1 (0.70) ALBALDH1A1TP53NPC1RAB9A
SCHEMBL16088777 0.81 POLB (0.63) ALDH1A1TP53MEN1KMT2ACCR8
SCHEMBL16127833 0.81 POLB (0.63) ALDH1A1TP53MEN1KMT2ACCR8

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
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 ALB 4009/4885ALDH1A1 52/4885TP53 688/4885

“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.