SCHEMBL15417860

SCHEMBL15417860

CCCCCC(=O)NC(C)(CO)CO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HSP90AA1 P07900 1/20 0.50
FAAH O00519 7/20 0.48
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
AKR1B1 P15121 1/20 0.41
DNM1 Q05193 1/20 0.41

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
SCHEMBL8206737 0.98 HRH3 (0.58) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL15726601 0.98 HRH3 (0.58) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL14845707 0.94 ALDH1A1 (0.52) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL10179 0.85 HDAC3 (0.46) HRH3ALDH1A1MEN1KMT2ACES2
SCHEMBL15726667 0.84 DGKA (0.56) HRH3FAAHMEN1KMT2ADNM1
SCHEMBL12328992 0.84 ALDH1A1 (0.46) HRH3ALDH1A1MEN1KMT2AAKR1B1
SCHEMBL11522117 0.83 ALDH1A1 (0.44) HRH3ALDH1A1KMT2A
SCHEMBL23392423 0.82 ALDH1A1 (0.63) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL10689611 0.82 ALDH1A1 (0.63) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL11922964 0.82 ALDH1A1 (0.63) HRH3ALDH1A1HSP90AA1FAAHMEN1

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-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 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 (7 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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HRH3 3800/4885ALDH1A1 2535/4885HSP90AA1 2761/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HRH3 3382/4885ALDH1A1 1961/4885HSP90AA1 1161/4885
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH3 3382/4885ALDH1A1 1961/4885HSP90AA1 1161/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HRH3 3382/4885ALDH1A1 1961/4885HSP90AA1 1161/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH3 3382/4885ALDH1A1 1961/4885HSP90AA1 1161/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HRH3 3800/4885ALDH1A1 2535/4885HSP90AA1 2761/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HRH3 3382/4885ALDH1A1 1961/4885HSP90AA1 1161/4885

“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.