SCHEMBL12343871

SCHEMBL12343871

C[C@H](N)C(=S)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.55
▸ DPP7 Q9UHL4 2/20 0.55
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP9 Q86TI2 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42

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
SCHEMBL21889229 0.79 DPP4 (0.50) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL6820665 0.73 DPP4 (0.42) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL6820667 0.73 DPP4 (0.42) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL1189333 0.70 DPP4 (0.44) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2768507 0.70 DPP4 (0.44) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL389573 0.70 DPP4 (0.44) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL5891316 0.68 DPP4 (0.46) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL856280 0.68 DPP4 (0.46) DPP4DPP7DPP8DPP9ALDH1A1
Hydrochloric Acid SCHEMBL4502967 0.68 DPP4 (0.43) DPP4DPP7DPP8DPP9ALDH1A1
Hydrochloric Acid SCHEMBL9653875 0.68 DPP4 (0.43) DPP4DPP7DPP8DPP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192646-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 — — US disclosed
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof BACH BIOSCIENCES, LLC 2015-06-11 — — US disclosed
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 — — US disclosed
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2014-05-08 — — US disclosed
US-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 — — US disclosed
US-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-06-13 — — US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 — — US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 — — 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 (4 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-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP7 8/4885DPP8 13/4885
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP7 8/4885DPP8 13/4885
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP7 8/4885DPP8 13/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD DPP4 2/4885DPP7 8/4885DPP8 13/4885

“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.

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