SCHEMBL18311196

SCHEMBL18311196

Cc1cc(-c2ccccc2)c(F)c(C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ DHFR P00374 1/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ PTGS1 P23219 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL9954274 0.81 MEN1 (0.43) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL21942025 0.79 TTR (0.51) DHODHPTGS1ESR2
SCHEMBL28359829 0.79 PTGS1 (0.46) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL3716973 0.79 PTGS1 (0.46) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL11139556 0.79 ESR2 (0.43) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL28355967 0.79 ESR2 (0.43) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL9153943 0.79 ESR2 (0.43) DHODHMEN1KMT2APTGS1TSHR
Hydrochloric Acid SCHEMBL28562155 0.77 ESR2 (0.42) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL4428961 0.76 AKR1C2 (0.51) DHODHMEN1KMT2APTGS1TSHR
SCHEMBL20232735 0.75 KAT6A (0.65) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307258-B1 ARYL SULFONOHYDRAZIDES UNIV MONASH (AU) 2020-12-16 — — EP disclosed
EP-3307258-B1 ARYL SULFONOHYDRAZIDES UNIV MONASH (AU) 2020-12-16 — — EP disclosed
US-10829446-B2 Aryl sulfonohydrazides MONASH UNIVERSITY (AU) 2020-11-10 — — US disclosed
US-10829446-B2 Aryl sulfonohydrazides MONASH UNIVERSITY (AU) 2020-11-10 — — US disclosed
US-20180222857-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2018-08-09 — — US disclosed
US-20180222857-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2018-08-09 — — US disclosed
WO-2016198507-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2016-12-15 — — 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-20180222857-A1 ARYL SULFONOHYDRAZIDES FPR3, NCOA3, HAT1 DHODH 2663/4885MEN1 603/4885KMT2A 875/4885
US-10829446-B2 Aryl sulfonohydrazides FPR3, NCOA3, HAT1 DHODH 2663/4885MEN1 603/4885KMT2A 875/4885

“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.

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