SCHEMBL17239558

SCHEMBL17239558

O=C(O)c1cc(Br)cc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.41
DGAT1 O75907 1/20 0.40
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ASPH Q12797 1/20 0.36

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
SCHEMBL8038276 0.80 KEAP1 (0.48) AKR1C3AKR1C2AKR1C1AKR1C4KEAP1
SCHEMBL30519485 0.79 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30300276 0.79 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4KEAP1
SCHEMBL27214493 0.79 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL1228193 0.79 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL671102 0.79 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4KEAP1
SCHEMBL18094073 0.78 NOTUM (0.41) HSD17B10GPR35ALDH1A1SMN1; SMN2NPC1
SCHEMBL30673278 0.78 AKR1C2 (0.64) AKR1C3AKR1C2AKR1C1AKR1C4KEAP1
SCHEMBL30431884 0.78 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1AKR1C4KEAP1
SCHEMBL29053402 0.78 KDM4E (0.47) AKR1C2AKR1C1KEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
EP-3140298-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Inc. (US) 2017-03-15 EP disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 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 (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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 AKR1C3 4351/4885AKR1C2 4188/4885AKR1C1 4457/4885
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 AKR1C3 3196/4885AKR1C2 3467/4885AKR1C1 3463/4885

“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.