SCHEMBL16010948

SCHEMBL16010948

COC(=O)[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ PTPN2 P17706 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ FDPS P14324 3/20 0.33
▸ NR1H4 Q96RI1 3/20 0.33
▸ GGPS1 O95749 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL16010876 1.00 TSHR (0.39) TSHRPTPN2PTPN1CDC25ADUSP3
SCHEMBL16010875 1.00 TSHR (0.39) TSHRPTPN2PTPN1CDC25ADUSP3
SCHEMBL8514874 0.69 PTPN2 (0.43) TSHRPTPN2PTPN1FDPSGGPS1
SCHEMBL9609154 0.69 PTPN2 (0.43) TSHRPTPN2PTPN1FDPSGGPS1
SCHEMBL30585215 0.69 PTPN2 (0.43) TSHRPTPN2PTPN1FDPSGGPS1
SCHEMBL30585217 0.69 PTPN2 (0.43) TSHRPTPN2PTPN1FDPSGGPS1
SCHEMBL14412297 0.68 IDO1 (0.42) TSHRPTPN2PTPN1IDO1NR1H4
SCHEMBL30585220 0.68 PTPN1 (0.54) PTPN2PTPN1FDPSGGPS1POLB
SCHEMBL16010828 0.68 TSHR (0.44) TSHRFDPSNR1H4GGPS1ALDH1A1
SCHEMBL16010827 0.68 TSHR (0.44) TSHRFDPSNR1H4GGPS1ALDH1A1

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-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-9499464-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-09-11 — — 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 (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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C TSHR 656/4885PTPN2 2107/4885PTPN1 1984/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA TSHR 720/4885PTPN2 2014/4885PTPN1 1876/4885

“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.

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