SCHEMBL21294602

SCHEMBL21294602

NC1=C(Cl)C(=O)c2ccccc2C1=O.OC(F)(F)CF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3L Q9UJW3 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
S100A4 P26447 1/20 0.44
NSD2 O96028 3/20 0.43
TDP2 O95551 2/20 0.43
PAX8 Q06710 2/20 0.43
HK1 P19367 1/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
CDC25A P30304 4/20 0.40
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
MITF O75030 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Tert-Butanol SCHEMBL1458212 0.83 IDO1 (0.54) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL29440919 0.82 IDO1 (0.68) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL119489 0.82 IDO1 (0.68) IDO1DNMT1DNMT3LDNMT3AS100A4
Methylene Chloride SCHEMBL6033829 0.81 IDO1 (0.60) IDO1DNMT1DNMT3LDNMT3AS100A4
Trifluoroacetic Acid SCHEMBL4267259 0.81 IDO1 (0.47) IDO1DNMT1DNMT3LDNMT3AS100A4
Formic Acid SCHEMBL29070823 0.78 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL27864640 0.69 IDO1 (0.58) IDO1DNMT1DNMT3LDNMT3AS100A4
Dichlon SCHEMBL45723 0.67 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL29563346 0.67 RAB9A (0.68) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL1510327 0.67 RAB9A (0.68) IDO1DNMT1DNMT3LDNMT3AS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 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 (3 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 IDO1 1730/4885DNMT1 4417/4885DNMT3L 4410/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV IDO1 2908/4885DNMT1 4772/4885DNMT3L 4598/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV IDO1 1987/4885DNMT1 4466/4885DNMT3L 4347/4885

“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.