SCHEMBL21042963

SCHEMBL21042963

CC(C)(S)Nc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.50
FABP4 P15090 2/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
AKR1C3 P42330 4/20 0.47
AKR1B10 O60218 3/20 0.47
PTGS2 P35354 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
LMNA P02545 3/20 0.47
ABCB11 O95342 2/20 0.47
CHRM1 P11229 2/20 0.47
PTGS1 P23219 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1B1 P15121 2/20 0.47
HIF1A Q16665 2/20 0.47
TRPA1 O75762 1/20 0.47
DHFR P00374 1/20 0.47

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
SCHEMBL1906473 0.85 CLCN2 (0.53) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL25055219 0.81 TAS2R14 (0.53) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL5511334 0.77 FABP4 (0.52) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL3843266 0.77 FABP4 (0.52) CLCN2FABP4KMT2AMEN1ALDH1A1
SCHEMBL28482318 0.75 CLCN2 (0.55) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL3994998 0.74 CETP (0.59) KMT2AMEN1LMNAMASP2ALDH1A1
N-Methylanthranilic Acid SCHEMBL130356 0.74 KDM4E (0.64) CLCN2FABP4KMT2AMEN1AKR1C3
N-Methylanthranilic Acid SCHEMBL29381752 0.74 KDM4E (0.64) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL975566 0.74 FABP4 (0.57) CLCN2FABP4KMT2AMEN1AKR1C3
SCHEMBL355549 0.73 FABP4 (0.80) CLCN2FABP4KMT2AMEN1AKR1C3

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-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 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 (2 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-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 CLCN2 802/4885FABP4 1762/4885KMT2A 4112/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 CLCN2 445/4885FABP4 1837/4885KMT2A 4231/4885

“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.