SCHEMBL20116495

SCHEMBL20116495

O=C(O)[C@H]1CC(=O)N(c2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA4 P22748 1/20 0.66
CA6 P23280 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
CA5B Q9Y2D0 1/20 0.66
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.64
TSHR P16473 2/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.60
ALOX15 P16050 1/20 0.60
PTPN1 P18031 1/20 0.59
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL892508 1.00 CA12 (0.66) CA12CA1CA2CA4CA6
SCHEMBL20676025 0.93 CA12 (0.74) CA12CA1CA2CA4CA6
SCHEMBL16131376 0.86 RAB9A (0.60) CA12CA1CA2CA4CA6
SCHEMBL20116623 0.86 ALDH1A1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL13803643 0.86 ALDH1A1 (0.58) MAPTRECQLTSHRCASP1CASP7
SCHEMBL3365962 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL3367424 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL1776720 0.86 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL5451596 0.86 GLA (0.65) CA12CA1CA2CA4CA6
SCHEMBL7821361 0.86 CA12 (0.55) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885

“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.