SCHEMBL9828265

SCHEMBL9828265

ICCc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
CALM1 P0DP23 2/20 0.57
CYP3A4 P08684 3/20 0.55
SLC6A4 P31645 2/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CMA1 P23946 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7357999 0.89 TAAR1 (0.62) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL5657606 0.88 TAAR1 (0.52) TAAR1CALM1MAPTCYP2D6ALDH1A1
SCHEMBL108087 0.87 TAAR1 (0.77) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL11555889 0.85 TAAR1 (0.59) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL16399861 0.84 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL4579616 0.83 TAAR1 (0.60) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL108050 0.83 CALM1 (0.72) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL11399822 0.83 TAAR1 (0.56) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL11399820 0.83 TAAR1 (0.56) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL16606276 0.82 TAAR1 (0.46) TAAR1CALM1CYP2D6ALDH1A1

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
US-20170240558-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT LIXTE BIOTECHNOLOGY, INC. (US) 2017-08-24 US disclosed
US-20170240558-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT LIXTE BIOTECHNOLOGY, INC. (US) 2017-08-24 US disclosed
US-20160009727-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT LIXTE BIOTECHNOLOGY, INC. (US) 2016-01-14 US disclosed
US-20160009727-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT LIXTE BIOTECHNOLOGY, INC. (US) 2016-01-14 US disclosed
WO-2014149494-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT LIXTE BIOTECHNOLOGY, INC. (US) 2014-09-25 WO disclosed
WO-2010104929-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
EP-0256888-B1 BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION McNeilab, Inc. (US) 1991-07-03 EP disclosed
US-4729994-A Benzothiazepine vasodilators having aralkyl substitution MCNEILAB, INC. (US) 1988-03-08 US disclosed
EP-0256888-A1 Benzothiazepine vasodilators having aralkyl substitution McNeilab, Inc. (US) 1988-02-24 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 (2 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-20160009727-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT PPP2R2A, PPP2R1A, PPP1R7 TAAR1 3326/4885CALM1 350/4885CYP3A4 4384/4885
US-20170240558-A1 SANGUINARINE ANALOG PP2C INHIBITORS FOR CANCER TREATMENT PPP2R2A, PPP2R1A, PPP1R7 TAAR1 3326/4885CALM1 350/4885CYP3A4 4384/4885

“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.