SCHEMBL21776258

SCHEMBL21776258

CCCC(C)c1cccc(Br)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
KAT6A Q92794 1/20 0.32
HTT P42858 1/20 0.31
GRM2 Q14416 1/20 0.31
CFD P00746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21451620 0.85 TSHR (0.47) TSHRKAT6AHTTGRM2
SCHEMBL18891691 0.81 CES2 (0.39) TSHRCFDSMN1; SMN2
SCHEMBL23730871 0.81 HTT (0.41) TSHRHTTGRM2SMN1; SMN2
SCHEMBL22102746 0.81 CFD (0.45) CFD
Hydrochloric Acid SCHEMBL16397363 0.79 CFD (0.44) CFD
SCHEMBL17878038 0.77 GABRA1 (0.44) TSHRHTTSMN1; SMN2
SCHEMBL31381716 0.77 GABRA1 (0.44) TSHRHTTSMN1; SMN2
SCHEMBL21776119 0.76 IDO1 (0.43)
SCHEMBL20940100 0.76 GABRA1 (0.39) TSHR
SCHEMBL22792362 0.76 ADRB1 (0.32) TSHRKAT6AHTT

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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC TSHR 3514/4885KAT6A 944/4885HTT 722/4885

“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.