SCHEMBL21703593

SCHEMBL21703593

CCC(C)c1[nH]ncc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.34
KDM6B O15054 4/20 0.33
KDM5B Q9UGL1 4/20 0.33
KDM4A O75164 3/20 0.33
KDM4D Q6B0I6 3/20 0.33
KDM3B Q7LBC6 3/20 0.33
HIF1AN Q9NWT6 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL13005845 0.82 HCAR2 (0.39) HCAR3MEN1KMT2AALDH1A1TSHR
SCHEMBL28015073 0.74 TDP1 (0.36) MEN1KMT2AALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL29715766 0.73 TDP1 (0.35) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL27958473 0.72 MEN1 (0.35) MEN1KMT2AALDH1A1TSHRGABRP
SCHEMBL19250963 0.72 CYP3A4 (0.33)
SCHEMBL24345960 0.71 TSHR (0.31) TSHR
SCHEMBL14822490 0.71 HCAR2 (0.43) MEN1KMT2AALDH1A1TSHRKDM6B
SCHEMBL7248717 0.69 TDP1 (0.33) TSHRTDP1
SCHEMBL2089714 0.68 TDP1 (0.32) TSHRTDP1
SCHEMBL272809 0.67

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-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-02-13 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-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 HCAR3 3858/4885MEN1 4399/4885KMT2A 1149/4885

“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.