SCHEMBL9945977

SCHEMBL9945977

CC(C)c1ccc(NC(=O)CCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
CYP1A1 P04798 1/20 0.64
POLB P06746 3/20 0.62
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 1/20 0.57
BCHE P06276 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
USP5 P45974 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL11193183 0.86 SMN1; SMN2 (0.65) RAB9APOLBHPGDSMN1; SMN2KMT2A
SCHEMBL19002582 0.84 TP53 (0.68) RAB9APOLBHPGDSMN1; SMN2KMT2A
SCHEMBL27991216 0.83 CYP1A1 (0.64) CYP1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL21123918 0.83 RAB9A (0.63) RAB9APOLBHPGDSMN1; SMN2KMT2A
SCHEMBL21851951 0.83 RAB9A (0.63) RAB9APOLBHPGDSMN1; SMN2KMT2A
SCHEMBL25017242 0.83 RAB9A (0.68) RAB9APOLBHPGDSMN1; SMN2KMT2A
SCHEMBL12545584 0.80 SMN1; SMN2 (0.67) RAB9AHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL1107145 0.80 MAPT (0.74) RAB9ACYP1A1POLBSMN1; SMN2KMT2A
SCHEMBL7827734 0.80 POLB (0.80) RAB9ACYP1A1POLBSMN1; SMN2KMT2A
SCHEMBL6173694 0.80 CYP1A1 (0.70) CYP1A1POLBSMN1; SMN2KMT2AMEN1

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 RAB9A 1191/4885CYP1A1 3668/4885POLB 4723/4885
US-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E RAB9A 1527/4885CYP1A1 488/4885POLB 11/4885

“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.