SCHEMBL3135240

SCHEMBL3135240

O=C(NCC=Cc1cccc(NS(=O)(=O)C2CCCCC2)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
KCNT1 Q5JUK3 1/20 0.37
KCNT2 Q6UVM3 1/20 0.37
BRD4 O60885 4/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BRPF1 P55201 1/20 0.35
GAK O14976 1/20 0.35
STK16 O75716 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL3135232 1.00 MAP2K4 (0.39) MAP2K4HSD17B1HSD17B2KCNT1KCNT2
SCHEMBL3122202 0.81 HPGD (0.49) ALDH1A1POLBMEN1KMT2A
SCHEMBL3122191 0.81 HPGD (0.49) ALDH1A1POLBMEN1KMT2A
SCHEMBL3122069 0.79 BRD4 (0.42) MAP2K4KCNT1KCNT2BRD4OPRM1
SCHEMBL15946010 0.79 OPRM1 (0.44) MAP2K4KCNT1KCNT2BRD4OPRM1
SCHEMBL3122061 0.79 BRD4 (0.42) MAP2K4KCNT1KCNT2BRD4OPRM1
SCHEMBL3388493 0.78 ALDH1A1 (0.39) ALDH1A1HDAC6POLBRAB9AMEN1
SCHEMBL3388491 0.78 ALDH1A1 (0.39) ALDH1A1HDAC6POLBRAB9AMEN1
SCHEMBL3131596 0.76 CYP1A2 (0.37) BRD4HDAC4MEN1KMT2A
SCHEMBL3389642 0.76 LMNA (0.47) ALDH1A1POLBKMT2A

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 MAP2K4 4864/4885HSD17B1 270/4885HSD17B2 232/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 MAP2K4 4864/4885HSD17B1 270/4885HSD17B2 232/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 MAP2K4 4864/4885HSD17B1 270/4885HSD17B2 232/4885

“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.