SCHEMBL16248180

SCHEMBL16248180

CC(C)c1cnc(C(F)(F)F)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
HSP90AB1 P08238 4/20 0.40
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
GABRA1 P14867 6/20 0.35
GABRB2 P47870 3/20 0.35
CHKA P35790 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
SCHEMBL23970861 0.83 CYP3A4 (0.39) HSP90AA1HSP90AB1TRPA1CYP3A4CYP2D6
SCHEMBL13086672 0.82 PDE2A (0.42) LMNACYP3A4CYP2D6TSHRCRHBP
SCHEMBL19105584 0.80 NOTUM (0.37) TRPA1CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24910219 0.80 PDE2A (0.37) TRPA1CYP3A4CYP2D6TSHRCRHBP
SCHEMBL19105630 0.80 CYP3A4 (0.37) HSP90AA1HSP90AB1LMNATRPA1CYP3A4
SCHEMBL25165502 0.78 SCN10A (0.37) TRPA1CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24850231 0.78 USP1 (0.37) HSP90AA1HSP90AB1LMNATRPA1CYP3A4
SCHEMBL17703498 0.78 TRPV4 (0.38) HSP90AA1HSP90AB1LMNACYP3A4CYP2D6
SCHEMBL21625521 0.77 CA2 (0.41) HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR
SCHEMBL12263473 0.77 PDE2A (0.35) LMNACYP3A4CYP2D6TSHRCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-12-08 US disclosed
US-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
EP-3712144-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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 (4 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-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 HSP90AA1 3034/4885HSP90AB1 2757/4885LMNA 1680/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 HSP90AA1 360/4885HSP90AB1 395/4885LMNA 691/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 HSP90AA1 3076/4885HSP90AB1 2771/4885LMNA 2224/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B HSP90AA1 723/4885HSP90AB1 672/4885LMNA 912/4885

“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.