SCHEMBL4517539

SCHEMBL4517539

O=C(O)c1cc(Br)cc(Cl)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
AKR1C4 P17516 2/20 0.48
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
WDR5 P61964 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
METAP2 P50579 1/20 0.40
SORT1 Q99523 1/20 0.38
DPP4 P27487 1/20 0.38
NMT1 P30419 1/20 0.36
DAO P14920 1/20 0.36
GPR35 Q9HC97 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
SCHEMBL5781652 0.87 DPP4 (0.43) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL23087911 0.86 AKR1C3 (0.40) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL28218518 0.84 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL27214493 0.81 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL4827833 0.79 AKR1C2 (0.64) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL31424007 0.78 AKR1C3 (0.63) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL8467899 0.78 AKR1C4 (0.63) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL29684531 0.78 AKR1C4 (0.63) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL1571554 0.78 KDM4E (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL22492250 0.78 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
US-20240226115-A1 AXL INHIBITOR COMPOUNDS ARCUS BIOSCIENCES, INC. 2024-07-11 US disclosed
US-11920040-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP MDX LLC (US) 2024-03-05 US disclosed
US-20230105320-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP MDX LLC (US) 2023-04-06 US disclosed
US-20230105320-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP MDX LLC (US) 2023-04-06 US disclosed
US-11618826-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP MDX LLC (US) 2023-04-04 US disclosed
WO-2022246179-A1 AXL INHIBITOR COMPOUNDS ARCUS BIOSCIENCES, INC. (US) 2022-11-24 WO disclosed
US-20220002549-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP, INC. (US) 2022-01-06 US disclosed
US-20220002549-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP, INC. (US) 2022-01-06 US disclosed
US-11155713-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP, INC. (US) 2021-10-26 US disclosed
US-11155713-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP, INC. (US) 2021-10-26 US disclosed
EP-3802526-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITechGroup, Inc. (US) 2021-04-14 EP disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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 (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-20240226115-A1 AXL INHIBITOR COMPOUNDS AXL, BTK, MERTK AKR1C3 3845/4885AKR1C2 3858/4885AKR1C1 3873/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 AKR1C3 1902/4885AKR1C2 2495/4885AKR1C1 2041/4885

“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.