SCHEMBL1484126

SCHEMBL1484126

N[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP2C19 P33261 1/20 0.65
POLB P06746 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15529385 1.00 ALDH1A1 (0.65) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL2033299 1.00 ALDH1A1 (0.65) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL7232865 1.00 ALDH1A1 (0.65) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL311527 1.00 ALDH1A1 (0.65) ALDH1A1CYP2C19POLBTDP1APEX1
Hydrochloric Acid SCHEMBL26613189 0.98 ALDH1A1 (0.63) ALDH1A1CYP2C19POLBTDP1APEX1
Hydrochloric Acid SCHEMBL26613207 0.98 ALDH1A1 (0.63) ALDH1A1CYP2C19POLBTDP1APEX1
Hydrochloric Acid SCHEMBL19668549 0.98 ALDH1A1 (0.63) ALDH1A1CYP2C19POLBTDP1APEX1
Hydrochloric Acid SCHEMBL19668550 0.98 ALDH1A1 (0.63) ALDH1A1CYP2C19POLBTDP1APEX1
SCHEMBL24062391 0.83 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL20346210 0.83 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150597-A1 THERMOSETTING RESIN COMPOSITION, CURED FILM, SUBSTRATE, AND ELECTRONIC COMPONENT JNC株式会社 2024-07-18 WO disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 US disclosed
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2005-04-14 US disclosed
EP-1516876-A1 Mediators of hedgehog signalling pathways, compositions and uses related thereto Curis, Inc. (US) 2005-03-23 EP disclosed
EP-1216234-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2004-12-29 EP disclosed
US-6545005-B1 Quinazolone derivatives CURTIS, INC. 2003-04-08 US disclosed
WO-2001019800-A9 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2002-10-03 WO disclosed
EP-1216234-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-06-26 EP disclosed
WO-2001019800-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-03-22 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 (6 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF ALDH1A1 2176/4885CYP2C19 2316/4885POLB 1265/4885
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP ALDH1A1 1056/4885CYP2C19 511/4885POLB 2001/4885
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 ALDH1A1 4299/4885CYP2C19 4885/4885POLB 4468/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP ALDH1A1 1056/4885CYP2C19 511/4885POLB 2001/4885
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 ALDH1A1 4299/4885CYP2C19 4885/4885POLB 4468/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 ALDH1A1 4299/4885CYP2C19 4885/4885POLB 4468/4885

“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.