SCHEMBL3777696

SCHEMBL3777696

Nc1cc(C(=O)O)cc(Cl)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.72
TSHR P16473 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TPMT P51580 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
SELL P14151 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
SCHEMBL2813230 0.85 TTR (0.50) TTRTSHRCA12CA1CA2
SCHEMBL2191755 0.84 ALDH1A1 (0.56) TTRTSHRCA12CA1CA2
SCHEMBL737305 0.84 TTR (1.00) TTRTSHRCA12CA1CA2
SCHEMBL4350880 0.83 TTR (0.48) TTRTSHRCA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL9064511 0.82 ALDH1A1 (0.54) TTRTSHRCA12CA1CA2
Bromide SCHEMBL28853691 0.82 TTR (0.95) TTRTSHRCA12CA1CA2
SCHEMBL1759305 0.81 TTR (0.56) TTRTSHRCA12CA1CA2
SCHEMBL4269298 0.78 CA12 (0.70) TTRCA12CA1CA2CA7
SCHEMBL30689081 0.78 TTR (0.78) TTRTSHRCA12CA1CA2
SCHEMBL1458206 0.78 TTR (0.78) TTRTSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116115764-A Tetrahydroimidazo [4,5-C ] pyridine derivatives as PD-L1 internalization inducers 因赛特公司 2023-05-16 CN disclosed
CN-101688227-B Macrolactams prepared by engineered biosynthesis KOSAN BIOSCIENCES INC 2013-07-24 CN disclosed
US-7855192-B2 Macrolactams by engineered biosynthesis KOSAN BIOSCIENCES, INC. (US) 2010-12-21 US disclosed
US-7855192-B2 Macrolactams by engineered biosynthesis KOSAN BIOSCIENCES, INC. (US) 2010-12-21 US disclosed
US-7855192-B2 Macrolactams by engineered biosynthesis KOSAN BIOSCIENCES, INC. (US) 2010-12-21 US disclosed
CN-101688227-A Macrocyclic lactams by through engineering approaches biosynthesizing preparation KOSAN BIOSCIENCES INC 2010-03-31 CN disclosed
EP-2121957-A1 MACROLACTAMS BY ENGINEERED BIOSYNTHESIS Kosan Biosciences, Inc. (US) 2009-11-25 EP disclosed
WO-2008094438-A1 MACROLACTAMS BY ENGINEERED BIOSYNTHESIS KOSAN BIOSCIENCES INCORPORATED (US) 2008-08-07 WO disclosed
WO-2008094438-A1 MACROLACTAMS BY ENGINEERED BIOSYNTHESIS KOSAN BIOSCIENCES INCORPORATED (US) 2008-08-07 WO disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 US disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 US disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 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 (1 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-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer HSP90AB2P, HSP90AB1, HSPA1B TTR 3969/4885TSHR 4191/4885CA12 4360/4885

“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.