SCHEMBL6320880

SCHEMBL6320880

Cc1cc(C)c(S(=O)(=O)O)cc1N=Nc1ccc2ccccc2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.66
▸ MPL P40238 2/20 0.62
▸ CTRC Q99895 2/20 0.62
▸ BRD4 O60885 2/20 0.58
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ TP53 P04637 2/20 0.51
▸ CREBBP Q92793 1/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51

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
SCHEMBL31222680 1.00 CTRB1 (0.66) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL692673 0.85 BRD4 (0.62) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL6126114 0.85 BRD4 (0.62) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL1136824 0.85 BRD4 (0.62) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL185164 0.84 BRD4 (0.60) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL185165 0.84 BRD4 (0.60) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL4811412 0.84 BRD4 (0.60) CTRB1MPLCTRCBRD4KMT2A
SCHEMBL31300193 0.81 MPL (0.65) CTRB1MPLCTRCKMT2AMEN1
SCHEMBL4419746 0.81 MPL (0.65) CTRB1MPLCTRCKMT2AMEN1
SCHEMBL14081232 0.81 CTRB1 (0.76) CTRB1MPLCTRCKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives BEIERSDORF AG 2005-12-15 — — US disclosed
US-4968351-A LAKING THE MEARL CORPORATION (US) 1990-11-06 — — 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 (1 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-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives ITCH, TRPA1, TPH1 CTRB1 744/4885MPL 3559/4885CTRC 1639/4885

“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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