Sugi Predict

Sugi Predict / Compounds / SCHEMBL1710685

SCHEMBL1710685

SCHEMBL1710685

CC(C)(C1CCC(=O)NC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ CACNA1B Q00975 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ HTR6 P50406 4/20 0.39
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL2190918 0.88 CYP3A4 (0.45) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL1710830 0.88 CYP3A4 (0.45) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL7927656 0.83 CRBN (0.39) CYP3A4CYP2C19CYP2C9HTR6
SCHEMBL1722197 0.81 CYP3A4 (0.46) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL2189585 0.81 CYP3A4 (0.46) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL1722765 0.81 CYP3A4 (0.46) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL3031602 0.81 CYP3A4 (0.52) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL3045594 0.80 CYP3A4 (0.53) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL1713278 0.79 CA1 (0.43) CYP3A4CACNA1BNR1I2CA1CA2
SCHEMBL12688485 0.78 CACNA1B (0.52) CYP3A4CACNA1BNR1I2CA1CA2

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
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 — — US claimed
EP-2344450-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2011-07-20 — — EP disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 — — US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 — — US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 — — US disclosed
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 — — WO disclosed
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 — — 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 (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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885

“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.