SCHEMBL10192162

SCHEMBL10192162

Cc1cccc(CN(C)S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RECQL P46063 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
IDO1 P14902 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RORC P51449 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15899841 0.84 TAAR1 (0.46) NR3C1LMNAPOLBTAS2R14TAAR1
SCHEMBL17571923 0.84 NR3C1 (0.46) NR3C1LMNAPOLBTAS2R14ALDH1A1
SCHEMBL13454407 0.81 NR3C1 (0.44) NR3C1TAS2R14ALDH1A1TAAR1HSP90AA1
SCHEMBL17560581 0.81 HSD11B1 (0.45) LMNAALDH1A1HSD17B1HSD17B2KDM4E
SCHEMBL2057187 0.79 ALDH1A1 (0.54) LMNAPOLBALDH1A1KMT2A
SCHEMBL15830968 0.78 ACHE (0.41) NR3C1ALDH1A1CYP2C19HSD17B1HSD17B2
SCHEMBL10192138 0.77 ALDH1A1 (0.49) LMNAPOLBALDH1A1
SCHEMBL2634549 0.77 ENPP2 (0.50) HSD17B1HSD17B2
SCHEMBL12857 0.77 ALDH1A1 (0.56) ALDH1A1TAAR1HSP90AA1RECQLCYP2D6
SCHEMBL17560572 0.76 PYCR1 (0.58) LMNAALDH1A1CYP2D6CYP2C9CYP2C19

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-2941426-B1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-06-13 EP disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
US-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 WO disclosed
WO-2014100765-A1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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 (4 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-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 NR3C1 1557/4885LMNA 3171/4885POLB 2555/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NR3C1 2338/4885LMNA 3101/4885POLB 703/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NR3C1 957/4885LMNA 1012/4885POLB 2591/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NR3C1 957/4885LMNA 1012/4885POLB 2591/4885

“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.