SCHEMBL19209330

SCHEMBL19209330

Nc1ccc(C[C@H](NC(=O)O)c2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.47
PTPRB P23467 1/20 0.47
SOAT1 P35610 1/20 0.44
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSPA1A P0DMV8 1/20 0.39
HSPA5 P11021 1/20 0.39
HSPA9 P38646 1/20 0.39
HSPA2 P54652 1/20 0.39
ACACB O00763 1/20 0.39
ADRB3 P13945 1/20 0.38
XBP1 P17861 1/20 0.38
PKM P14618 1/20 0.37
RAD52 P43351 2/20 0.37
CNR2 P34972 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL20586742 1.00 CCR3 (0.47) CCR3PTPRBSOAT1LMNANPC1
SCHEMBL19257971 0.82 PTPRB (0.49) CCR3PTPRBLMNARAB9APKM
SCHEMBL772012 0.81 PTPRB (0.52) CCR3PTPRBNPC1RAB9ACTSA
SCHEMBL772011 0.81 PTPRB (0.52) CCR3PTPRBNPC1RAB9ACTSA
SCHEMBL22267911 0.81 CCR3 (0.39) CCR3PTPRBSOAT1LMNANPC1
SCHEMBL19257745 0.81 CCR3 (0.39) CCR3PTPRBSOAT1LMNANPC1
SCHEMBL22267912 0.78 ADRB3 (0.39) CCR3PTPRBSOAT1LMNANPC1
SCHEMBL22267910 0.76 CCR3 (0.36) CCR3PTPRBSOAT1LMNANPC1
SCHEMBL19257973 0.74 RAD52 (0.46) CCR3PTPRBLMNANPC1RAB9A
SCHEMBL20962839 0.73 ACACB (0.42) CCR3PTPRBSOAT1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2018-12-20 US disclosed
EP-3411371-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION Pfizer Inc (US) 2018-12-12 EP disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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 (2 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-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION NGLY1, TEK, TEKT1 CCR3 913/4885PTPRB 794/4885SOAT1 4368/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 CCR3 913/4885PTPRB 794/4885SOAT1 4368/4885

“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.