SCHEMBL16632745

SCHEMBL16632745

C=C(Cl)Cc1cc(C#N)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.41
SLC22A12 Q96S37 4/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
TRPM4 Q8TD43 1/20 0.39
MAP2K1 Q02750 1/20 0.39
HTT P42858 1/20 0.37
CDK2 P24941 1/20 0.36
PIN1 Q13526 1/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CTBP2 P56545 1/20 0.35
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 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
SCHEMBL16632748 0.83 MRGPRX4 (0.42) MRGPRX4LMNA
SCHEMBL23480907 0.79 SLC22A12 (0.46) XDHSLC22A12MRGPRX4TRPM4MAP2K1
SCHEMBL394617 0.79 XDH (0.46) XDHSLC22A12MRGPRX4TRPM4MAP2K1
SCHEMBL31084678 0.78 XDH (0.45) XDHSLC22A12MRGPRX4TRPM4MAP2K1
SCHEMBL16632529 0.78 SMN1; SMN2 (0.52) MRGPRX4
SCHEMBL11434090 0.75 XDH (0.43) XDHSLC22A12MRGPRX4TRPM4MAP2K1
SCHEMBL28219660 0.74 PTPN1 (0.49) XDHSLC22A12MRGPRX4TRPM4HTT
SCHEMBL3157619 0.73 XDH (0.53) XDHSLC22A12TRPM4MAP2K1HTT
SCHEMBL508503 0.72 TSHR (0.57) XDHSLC22A12MRGPRX4TRPM4MAP2K1
SCHEMBL6834830 0.71 FLT1 (0.37) XDHSLC22A12TRPM4HTTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR XDH 70/4885SLC22A12 2889/4885MRGPRX4 4166/4885

“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.