SCHEMBL7897262

SCHEMBL7897262

O=S(=O)(NC1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.43
APOB P04114 2/20 0.40
MTTP P55157 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR2 P41597 4/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PTGER3 P43115 1/20 0.36
TBXA2R P21731 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL7903113 0.82 GRIA2 (0.43) GRIA2CCR2TRPV1
SCHEMBL7898940 0.82 GRIA2 (0.58) GRIA2CCR2TRPV1
SCHEMBL7898318 0.81 GRIA2 (0.47) GRIA2CCR2TRPV1
SCHEMBL11898515 0.79 GRIA2 (0.70) GRIA2CCR2TRPV1
SCHEMBL15338340 0.77 CCR2 (0.40) GRIA2CCR2TRPV1
SCHEMBL7899877 0.77 HTR1A (0.44) GRIA2CCR2TRPV1
SCHEMBL15327849 0.75 TRPV1 (0.46) GRIA2CCR2TRPV1
SCHEMBL7897498 0.75 GRIA2 (0.46) GRIA2CCR2TRPV1
SCHEMBL7897265 0.73 GRIA2 (0.36) GRIA2CCR2TRPV1TBXA2R
SCHEMBL7901349 0.73 TACR1 (0.47) ALDH1A1CCR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
CN-102365265-A Indane derivatives ORGANON NV 2012-02-29 CN disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 GRIA2 24/4885APOB 1361/4885MTTP 1864/4885

“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.