SCHEMBL21724949

SCHEMBL21724949

COC(=O)C(Cc1ccccc1)NI

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
THRB P10828 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 3/20 0.58
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
ANPEP P15144 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL21724950 1.00 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL27958171 0.87 MMP8 (0.57) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL18697761 0.87 MMP8 (0.57) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL27709327 0.86 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL10296148 0.86 ATM (0.61) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL16359869 0.85 POLB (0.51) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL5934727 0.85 ESR1 (0.59) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL5934729 0.85 ESR1 (0.59) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL5934813 0.85 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL5934809 0.85 ATM (0.60) ATMALDH1A1CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335568-A1 RADIOPAQUE POLYSACCHARIDE HYDROGELS AND METHODS OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2024-10-10 US disclosed
US-20210223240-A1 STEM-LOOP RECEPTOR-BASED FIELD-EFFECT TRANSISTOR SENSOR DEVICES FOR SMALL-MOLECULE TARGET DETECTION UNDER PHYSIOLOGICAL SALT CONCENTRATIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-07-22 US disclosed
WO-2020037250-A2 STEM-LOOP RECEPTOR-BASED FIELD-EFFECT TRANSISTOR SENSOR DEVICES TARGET DETECTION FOR SMALL-MOLECULE UNDER PHYSIOLOGICAL SALT CONCENTRATIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-20 WO disclosed
CN-105238825-A Method for producing optically active phenylalanine compounds from cinnamic acid derivatives employing a phenylalanine ammonia lyase derived from idiomarina loihiensis DSM IP ASSETS BV 2016-01-13 CN 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-20240335568-A1 RADIOPAQUE POLYSACCHARIDE HYDROGELS AND METHODS OF MAKING THE SAME CD44, ALG1, CA13 ATM 359/4885ALDH1A1 2348/4885CYP2C9 3786/4885

“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.