SCHEMBL16755142

SCHEMBL16755142

C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
BTK Q06187 1/20 0.47
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PREP P48147 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL16755143 1.00 KMT2A (0.58) KMT2ABTKCA1CA2CA7
SCHEMBL23611929 1.00 KMT2A (0.58) KMT2ABTKCA1CA2CA7
SCHEMBL6645183 1.00 KMT2A (0.58) KMT2ABTKCA1CA2CA7
SCHEMBL16732777 1.00 KMT2A (0.58) KMT2ABTKCA1CA2CA7
SCHEMBL25281173 0.90 CA1 (0.47) KMT2ABTKCA1CA2CA7
SCHEMBL24439605 0.90 CA1 (0.47) KMT2ABTKCA1CA2CA7
SCHEMBL23624647 0.86 KMT2A (0.44) KMT2ABTKCA1CA2CA7
SCHEMBL23611982 0.86 KMT2A (0.44) KMT2ABTKCA1CA2CA7
SCHEMBL23624897 0.86 KMT2A (0.44) KMT2ABTKCA1CA2CA7
SCHEMBL23625138 0.86 KMT2A (0.44) KMT2ABTKCA1CA2CA7

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-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2021-05-20 US disclosed
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2021-01-05 US disclosed
US-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-29 US disclosed
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2019-07-02 US disclosed
EP-3056493-B1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO (JP) 2017-07-12 EP disclosed
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-18 US disclosed
US-9585881-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
EP-3056493-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-08-17 EP disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 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 (7 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-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-20170137412-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 KMT2A 4367/4885BTK 262/4885CA1 3069/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 KMT2A 4377/4885BTK 246/4885CA1 3225/4885

“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.