SCHEMBL1436392

SCHEMBL1436392

NC(OC(F)(F)F)(OC(F)(F)F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.52
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KIF11 P52732 5/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TACR1 P25103 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
SCHEMBL27680948 0.75 TSHR (0.50) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL11714749 0.71 TSHR (0.46) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL2158961 0.71 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL6253999 0.71 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL3670716 0.71 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL462758 0.70 KCNN4 (0.50) KCNN4TSHRALDH1A1KIF11MAPK1
Triphenylmethanamine SCHEMBL115149 0.70 KCNN4 (1.00) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL8524041 0.69 KCNN4 (0.55) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL10496222 0.69 TSHR (0.55) KCNN4TSHRALDH1A1CA1CA2
Biphenyl SCHEMBL7091889 0.69 ALDH1A1 (0.53) TSHRALDH1A1KIF11IDO1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 — — EP disclosed
US-7816408-B2 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. (US) 2010-10-19 — — US disclosed
US-20090176993-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-6939895-B2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-09-06 — — US disclosed
US-6750255-B2 SUCH AS (R)-N-(1-(1'-NAPHTHYL)ETHYL)-2-(2',5'-DICHOROPHENYL THIO)ETHYLAMINE; FOR STIMULATION OF SECRETION OF PARATHYROID HORMONE NPS PHARMACEUTICALS, INC. 2004-06-15 — — US disclosed
US-20030176485-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2003-09-18 — — US disclosed
US-20030144526-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. 2003-07-31 — — US disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 — — US disclosed
US-6362231-B1 MODULATOR OF PARATHYROID HORMONE; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. 2002-03-26 — — US disclosed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 — — 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 (3 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-20030144526-A1 Calcium receptor-active compounds CASR, CALCR, CNR1 KCNN4 272/4885TSHR 228/4885ALDH1A1 3470/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E KCNN4 160/4885TSHR 286/4885ALDH1A1 3327/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR KCNN4 248/4885TSHR 225/4885ALDH1A1 3326/4885

“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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