SCHEMBL20577306

SCHEMBL20577306

O=C(O)NC(C(=O)Nc1nccs1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
LMNA P02545 2/20 0.64
ACP1 P24666 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 1/20 0.58
NR3C1 P04150 1/20 0.55
HSPA5 P11021 2/20 0.55
HSPA9 P38646 2/20 0.55
AURKA O14965 1/20 0.54
PIM1 P11309 1/20 0.54
CDK2 P24941 1/20 0.54

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
SCHEMBL21833960 0.86 NPC1 (0.52) TSHRNPC1RAB9ALMNAACP1
SCHEMBL20577108 0.83 TSHR (0.57) TSHRNPC1RAB9ALMNAACP1
SCHEMBL29700242 0.83 TSHR (0.57) TSHRNPC1RAB9ALMNAACP1
SCHEMBL20576592 0.81 MEN1 (0.56) TSHRNPC1RAB9ALMNAACP1
SCHEMBL21237720 0.80 NPC1 (0.67) TSHRNPC1RAB9ALMNAACP1
SCHEMBL20887927 0.80 LMNA (0.75) TSHRNPC1RAB9ALMNAACP1
SCHEMBL28858268 0.80 LMNA (0.56) TSHRNPC1RAB9ALMNAACP1
SCHEMBL28858269 0.80 CYP1A2 (0.57) TSHRNPC1RAB9ALMNAACP1
SCHEMBL4238173 0.79 NPC1 (0.65) TSHRNPC1RAB9ALMNAACP1
Hydrochloric Acid SCHEMBL20576283 0.79 NPC1 (0.65) TSHRNPC1RAB9ALMNAACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986407-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-04-27 EP disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 US disclosed
WO-2020257632-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 WO 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 TSHR 2389/4885NPC1 3422/4885RAB9A 1495/4885
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 TSHR 783/4885NPC1 3517/4885RAB9A 1272/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 TSHR 723/4885NPC1 2485/4885RAB9A 1251/4885

“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.