SCHEMBL20577393

SCHEMBL20577393

COc1ccc(F)cc1C(NC(=O)O)C(=O)Nc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 2/20 0.47
KCNMA1 Q12791 1/20 0.47
MAPT P10636 2/20 0.45
BRD4 O60885 1/20 0.45
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 1/20 0.43
EGFR P00533 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL20576592 0.88 MEN1 (0.56) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL29489965 0.87 RAB9A (0.45) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL22805168 0.87 RAB9A (0.45) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL21833959 0.86 EGFR (0.46) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22827746 0.84 RAB9A (0.52) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL29489971 0.83 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL20577413 0.83 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL29365947 0.83 RAB9A (0.51) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL29072267 0.81 RAB9A (0.52) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL28698173 0.80 MEN1 (0.44) RAB9ASMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986565-B1 NEW EGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2023-08-30 EP disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 US disclosed
EP-3749664-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. Hoffmann-La Roche AG (CH) 2020-12-16 EP disclosed
US-20200361930-A1 BIFUNCTIONAL MOLECULES THAT DEGRADE EGFR HOFFMANN-LA ROCHE INC. (US) 2020-11-19 US disclosed
EP-3630754-A1 COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-04-08 EP disclosed
US-20200102299-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-04-02 US disclosed
WO-2019149922-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2019-08-08 WO disclosed
WO-2018220149-A1 COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-06 WO 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-20200361930-A1 BIFUNCTIONAL MOLECULES THAT DEGRADE EGFR EGFR, ERBB2, MDM2 RAB9A 1495/4885SMN1; SMN2 4694/4885MAPK1 2619/4885
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 RAB9A 1272/4885SMN1; SMN2 4646/4885MAPK1 513/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 RAB9A 1251/4885SMN1; SMN2 4344/4885MAPK1 684/4885

“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.