SCHEMBL17850502

SCHEMBL17850502

O=S(=O)(Cl)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A12 Q96S37 8/20 0.42
KAT6A Q92794 2/20 0.39
AKR1B1 P15121 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HSD11B1 P28845 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL29500393 0.82 MEN1 (0.56) TRPV4MEN1KMT2ASLC22A12KAT6A
SCHEMBL65955 0.82 MEN1 (0.56) TRPV4MEN1KMT2ASLC22A12KAT6A
SCHEMBL5162463 0.81 TRPV4 (0.44) TRPV4MEN1KMT2ASLC22A12KAT6A
SCHEMBL29434897 0.81 CCR4 (0.44) TRPV4MEN1KMT2ASLC22A12RXFP1
SCHEMBL6240708 0.81 CCR4 (0.44) TRPV4MEN1KMT2ASLC22A12RXFP1
SCHEMBL2777793 0.81 CA2 (0.47) MEN1KMT2ASLC22A12CA12CA1
SCHEMBL3188983 0.81 MEN1 (0.43) MEN1KMT2ASLC22A12KAT6AAKR1B1
SCHEMBL22489744 0.79 TRPV4 (0.42) TRPV4MEN1KMT2ASLC22A12RXFP1
SCHEMBL11248862 0.79 TRPV4 (0.42) TRPV4MEN1KMT2ASLC22A12RXFP1
SCHEMBL11741823 0.79 TRPV4 (0.42) TRPV4MEN1KMT2ASLC22A12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 TRPV4 3714/4885MEN1 755/4885KMT2A 1622/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 TRPV4 3714/4885MEN1 755/4885KMT2A 1622/4885

“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.