SCHEMBL1177136

SCHEMBL1177136

COc1ccc(CN[C@H](CO)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.56
CD274 Q9NZQ7 3/20 0.56
LDHA P00338 1/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
PPARG P37231 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1177223 1.00 PDCD1 (0.56) PDCD1CD274LDHANPC1RAB9A
SCHEMBL1177224 1.00 PDCD1 (0.56) PDCD1CD274LDHANPC1RAB9A
SCHEMBL25260132 0.88 ALDH1A1 (0.46) PDCD1CD274LDHANPC1RAB9A
SCHEMBL1097490 0.88 LDHA (0.63) LDHANPC1RAB9APPARGALDH1A1
SCHEMBL3315713 0.88 ALDH1A1 (0.46) PDCD1CD274LDHANPC1RAB9A
SCHEMBL1927881 0.86 LDHA (0.53) LDHANPC1RAB9APPARGALDH1A1
SCHEMBL1760907 0.86 LDHA (0.53) LDHANPC1RAB9APPARGALDH1A1
SCHEMBL1760820 0.86 LDHA (0.53) LDHANPC1RAB9APPARGALDH1A1
SCHEMBL9543477 0.85 LDHA (0.51) LDHANPC1RAB9APPARGALDH1A1
SCHEMBL24446771 0.85 ANPEP (0.59) LDHANPC1RAB9AALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
WO-2017040757-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2017-03-09 WO disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 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 (5 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-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDCD1 699/4885CD274 785/4885LDHA 4298/4885
US-10023571-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 PDCD1 976/4885CD274 1176/4885LDHA 4339/4885
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDCD1 699/4885CD274 785/4885LDHA 4298/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 PDCD1 976/4885CD274 1176/4885LDHA 4339/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 PDCD1 59/4885CD274 136/4885LDHA 1826/4885

“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.