SCHEMBL14710247

SCHEMBL14710247

CCOC(=O)Cc1ccc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C)noc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DHFR P00374 2/20 0.33

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
SCHEMBL14710198 0.80 ALDH1A1 (0.42) SYKHDAC4HDAC6ALDH1A1L3MBTL1
SCHEMBL14710981 0.79 ALDH1A1 (0.41) SYKHDAC4HDAC6ALDH1A1L3MBTL1
SCHEMBL14710201 0.79 ALDH1A1 (0.41) SYKHDAC4HDAC6ALDH1A1L3MBTL1
SCHEMBL14252745 0.73 SMN1; SMN2 (0.40) SYKALDH1A1RXRARXRBRXRG
SCHEMBL28138436 0.72 SMN1; SMN2 (0.40) SYKHDAC4HDAC6ALDH1A1RXRA
SCHEMBL28167083 0.71 ABL1 (0.39) SYKALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL151254 0.71 MAPT (0.40) SYKALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL3718701 0.71 CA5A (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL28166901 0.71 ABL1 (0.42) SYKHDAC4HDAC6ALDH1A1RXRA
SCHEMBL491528 0.70 RXRA (0.47) RXRARXRBRXRGCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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 (1 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SYK 2737/4885HDAC4 2670/4885HDAC6 2729/4885

“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.