SCHEMBL3611091

SCHEMBL3611091

Clc1ccc(-c2csc(NCc3ccccc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
RAB9A P51151 4/20 0.65
MAPT P10636 4/20 0.65
LMNA P02545 4/20 0.65
NPC1 O15118 3/20 0.65
HSD17B10 Q99714 2/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
GAA P10253 3/20 0.64
PKM P14618 1/20 0.64
ALOX5 P09917 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL1820346 0.90 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL13256500 0.88 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ARAB9AMAPT
Hydrochloric Acid SCHEMBL3498985 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL2578382 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7036827 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1915382 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7037764 0.79 MAOA (0.57) ALDH1A1MEN1KMT2ARAB9AMAPT
Bromide SCHEMBL6833549 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL16211806 0.79 MEN1 (0.56) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL207417 0.79 ALOX5 (0.78) MEN1KMT2AMAPTNPC1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALDH1A1 3196/4885MEN1 2826/4885KMT2A 2486/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALDH1A1 863/4885MEN1 4490/4885KMT2A 4046/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALDH1A1 3103/4885MEN1 2786/4885KMT2A 2406/4885

“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.