SCHEMBL4172955

SCHEMBL4172955

NCC(O)CNCCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
ANPEP P15144 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL24660854 0.91 PKM (0.38) PKMANPEPCA12CA2CA3
SCHEMBL6696856 0.86
SCHEMBL6696847 0.86
SCHEMBL8109376 0.85 PKM (0.41) PKMCA12CA2CA9
SCHEMBL3015969 0.84 CA12 (0.48) PKMANPEPCA12CA2CA3
SCHEMBL3013403 0.83
SCHEMBL28834532 0.82 CA12 (0.50) PKMANPEPCA12CA2CA3
SCHEMBL3424464 0.81 LMNA (0.38) PKMCA12CA2CA9LMNA
SCHEMBL24459735 0.80 CA12 (0.48) PKMCA12CA2CA3CA4
SCHEMBL27656089 0.79 TDP1 (0.53) PKMANPEP

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
CN-110996897-A Skin external composition containing ceramide, its derivative and cortex Hibisci extract 株式会社爱茉莉太平洋 2020-04-10 CN disclosed
US-8337649-B2 Repair film and use thereof BASF COATINGS GMBH (DE) 2012-12-25 US disclosed
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-03-04 US disclosed
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-03-04 US disclosed
US-20100009935-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-01-14 US disclosed
US-20100009935-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-01-14 US disclosed
US-7507763-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2009-03-24 US disclosed
US-7507763-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2009-03-24 US disclosed
US-20090011189-A1 REFINISH SHEETS AND THEIR USE BASF COATINGS AG (DE) 2009-01-08 US disclosed
US-7378441-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7378441-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7285566-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. 2007-10-23 US disclosed
US-7285566-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. 2007-10-23 US disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
WO-2000006151-A9 SUSTAINED RELEASE NITRIC OXIDE PRODUCING AGENTS KUHRTS ERIC (US) 2000-10-26 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-20100009935-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SERPINB1, MMP7, MME PKM 3882/4885ANPEP 45/4885CA12 4388/4885
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SERPINB1, MMP7, MME PKM 3882/4885ANPEP 45/4885CA12 4388/4885

“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.