SCHEMBL20560729

SCHEMBL20560729

Fc1c(Cl)cccc1C(=S)Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KMO O15229 2/20 0.35
NOTUM Q6P988 1/20 0.35
ALOX15 P16050 1/20 0.34
BCHE P06276 1/20 0.34
MGLL Q99685 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL20560316 0.80 CES2 (0.56) KAT6AALDH1A1CES2CES1ALOX15
SCHEMBL413285 0.78 ALDH1A1 (0.54) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL29454770 0.78 ALDH1A1 (0.54) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL20560192 0.77 CTSL (0.42) ALDH1A1CES2CES1ALOX15BCHE
SCHEMBL6070107 0.77 CES2 (0.54) TSHRALDH1A1CES2CES1MGLL
SCHEMBL16955639 0.76 KAT6A (0.41) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL401838 0.74 TSHR (0.63) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL9693738 0.74 KAT6A (0.47) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL11883495 0.74 KAT6A (0.41) KAT6ATSHRALDH1A1CES2CES1
SCHEMBL30462062 0.74 TSHR (0.63) KAT6ATSHRALDH1A1CES2CES1

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
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
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

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 KAT6A 974/4885TSHR 668/4885ALDH1A1 982/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 KAT6A 974/4885TSHR 668/4885ALDH1A1 982/4885

“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.