SCHEMBL9921695

SCHEMBL9921695

Cc1ccc(C(=O)O[C@@H](C)[C@H](C)OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ALDH1A1 P00352 7/20 0.50
LMNA P02545 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL14722551 1.00 TDP1 (0.59) TDP1CA12CA1CA2CA7
SCHEMBL20259489 1.00 TDP1 (0.59) TDP1CA12CA1CA2CA7
SCHEMBL14723296 0.92 CES2 (0.57) TDP1CA12CA1CA2CA7
SCHEMBL18069589 0.92 TDP1 (0.55) TDP1CA12CA1CA2CA7
SCHEMBL4576789 0.92 TDP1 (0.55) TDP1CA12CA1CA2CA7
SCHEMBL14722772 0.90 TDP1 (0.53) TDP1CA12CA1CA2CA7
SCHEMBL13225900 0.87 TDP1 (0.59) TDP1CA12CA1CA2CA7
SCHEMBL6057198 0.87 CA12 (0.70) TDP1CA12CA1CA2CA7
SCHEMBL24279406 0.85 TP53 (0.55) TDP1CA12CA1CA2CA7
SCHEMBL19170235 0.85 TP53 (0.55) TDP1CA12CA1CA2CA7

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
EP-3114112-B1 CRYSTALLINE DERIVATIVES OF (S)-1-((2R,3R,4S,5S)-5-ALLYL-3-METHOXY-4-(TOSYLMETHYL)TETRAHYDROFURAN-2-YL)-3-AMINOPROPAN-2-OL ALPHORA RES INC (CA) 2021-12-15 EP disclosed
US-10370329-B2 Process for the enantiomeric resolution of apremilast intermediates Mylan Laboratories Ltd. (IN) 2019-08-06 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 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 (3 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 TDP1 3985/4885CA12 4777/4885CA1 4472/4885
US-10370329-B2 Process for the enantiomeric resolution of apremilast intermediates QDPR, TPMT, DNPEP TDP1 74/4885CA12 3832/4885CA1 2872/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TDP1 2833/4885CA12 2724/4885CA1 1945/4885

“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.