SCHEMBL1105480

SCHEMBL1105480

COc1ccc(C(C)=O)cc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL24812330 0.93 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL3547706 0.87 CA12 (0.71) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL15174514 0.85 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL76834 0.84 TSHR (0.73) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL29399077 0.84 TSHR (0.73) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL27753902 0.84 TSHR (0.73) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL10322866 0.83 KMT2A (0.45) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16210218 0.81 EPHX2 (0.59) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL17407195 0.81 NOTUM (0.54) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL10322973 0.81 APP (0.50) KMT2AMEN1LMNA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
WO-2022006439-A2 COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 WO disclosed
US-20210276999-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2021-09-09 US disclosed
US-10851101-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2020-12-01 US disclosed
EP-3406252-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2020-05-13 EP disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (10 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 CYP1A2 4324/4885CYP2C9 4858/4885CYP2C19 4777/4885
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CYP1A2 277/4885CYP2C9 75/4885CYP2C19 34/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CYP1A2 277/4885CYP2C9 75/4885CYP2C19 34/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CYP1A2 277/4885CYP2C9 75/4885CYP2C19 34/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C CYP1A2 3911/4885CYP2C9 3635/4885CYP2C19 4149/4885
US-20210276999-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 CYP1A2 4324/4885CYP2C9 4858/4885CYP2C19 4777/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CYP1A2 277/4885CYP2C9 75/4885CYP2C19 34/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CYP1A2 277/4885CYP2C9 75/4885CYP2C19 34/4885
US-10851101-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 CYP1A2 4324/4885CYP2C9 4858/4885CYP2C19 4777/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 CYP1A2 4094/4885CYP2C9 4799/4885CYP2C19 4644/4885

“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.